Imidazoles

Aromatic organic heterocyclic compounds that consist of a diazole with non-adjacent nitrogen atoms with the formula: C3N2H4.

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1H-Imidazole-4-carboxylic acid, 98%

CAS: 1072-84-0 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00082203 InChI Key: NKWCGTOZTHZDHB-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carboxylic acid,4-imidazolecarboxylic acid,imidazole-4-carboxylic acid,3h-imidazole-4-carboxylic acid,4-carboxyimidazole,unii-ae82z8u4gj,imidazole-5-carboxylic acid,4-imidazole carboxylic acid,ae82z8u4gj,4 5-imidazolecarboxylic acid PubChem CID: 14080 IUPAC Name: 1H-imidazole-5-carboxylic acid SMILES: OC(=O)C1=CN=CN1

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PubChem CID	14080
CAS	1072-84-0
Molecular Weight (g/mol)	112.09
MDL Number	MFCD00082203
SMILES	OC(=O)C1=CN=CN1
Synonym	1h-imidazole-4-carboxylic acid,4-imidazolecarboxylic acid,imidazole-4-carboxylic acid,3h-imidazole-4-carboxylic acid,4-carboxyimidazole,unii-ae82z8u4gj,imidazole-5-carboxylic acid,4-imidazole carboxylic acid,ae82z8u4gj,4 5-imidazolecarboxylic acid
IUPAC Name	1H-imidazole-5-carboxylic acid
InChI Key	NKWCGTOZTHZDHB-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

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2-Chloro-1-methylbenzimidazole, Thermo Scientific Chemicals

CAS: 1849-02-1 Molecular Formula: C8H7ClN2 Molecular Weight (g/mol): 166.61 MDL Number: MFCD00769821 InChI Key: UXZYKSFMGDWHGJ-UHFFFAOYSA-N Synonym: 2-chloro-1-methyl-1h-benzo d imidazole,2-chloro-1-methyl-1h-benzimidazole,2-chloro-1-methyl-1h-benzoimidazole,2-chloro-1-methyl-1,3-benzodiazole,1-methyl-1h-benzo d imidazol-2-yl chloride,2-chloro-1-methyl-1h-1,3-benzodiazole,1-methyl-2-chlorobenzimidazole,2-chloro-1-methyl-benzimidazole,1h-benzimidazole, 2-chloro-1-methyl,acmc-209em7 PubChem CID: 663080 IUPAC Name: 2-chloro-1-methylbenzimidazole SMILES: CN1C(Cl)=NC2=CC=CC=C12

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Specifications

PubChem CID	663080
CAS	1849-02-1
Molecular Weight (g/mol)	166.61
MDL Number	MFCD00769821
SMILES	CN1C(Cl)=NC2=CC=CC=C12
Synonym	2-chloro-1-methyl-1h-benzo d imidazole,2-chloro-1-methyl-1h-benzimidazole,2-chloro-1-methyl-1h-benzoimidazole,2-chloro-1-methyl-1,3-benzodiazole,1-methyl-1h-benzo d imidazol-2-yl chloride,2-chloro-1-methyl-1h-1,3-benzodiazole,1-methyl-2-chlorobenzimidazole,2-chloro-1-methyl-benzimidazole,1h-benzimidazole, 2-chloro-1-methyl,acmc-209em7
IUPAC Name	2-chloro-1-methylbenzimidazole
InChI Key	UXZYKSFMGDWHGJ-UHFFFAOYSA-N
Molecular Formula	C8H7ClN2

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1-Benzyl-3-methylimidazolium chloride, 97%

CAS: 36443-80-8 Molecular Formula: C11H13ClN2 Molecular Weight (g/mol): 208.689 MDL Number: MFCD07784451 InChI Key: FCRZSGZCOGHOGF-UHFFFAOYSA-M Synonym: 1-benzyl-3-methylimidazolium chloride,1-benzyl-3-methyl-1h-imidazol-3-ium chloride,1h-imidazolium,1-methyl-3-phenylmethyl-, chloride 1:1,3-benzyl-1-methylimidazol-1-ium chloride,dsstox_cid_27905,dsstox_rid_82658,dsstox_gsid_47929,ksc576i7l,1-methyl-3-benzylimidazolium chloride,1-benzyl-3-methylimidaz-olium chloride PubChem CID: 10560335 IUPAC Name: 1-benzyl-3-methylimidazol-3-ium;chloride SMILES: C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Cl-]

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PubChem CID	10560335
CAS	36443-80-8
Molecular Weight (g/mol)	208.689
MDL Number	MFCD07784451
SMILES	C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Cl-]
Synonym	1-benzyl-3-methylimidazolium chloride,1-benzyl-3-methyl-1h-imidazol-3-ium chloride,1h-imidazolium,1-methyl-3-phenylmethyl-, chloride 1:1,3-benzyl-1-methylimidazol-1-ium chloride,dsstox_cid_27905,dsstox_rid_82658,dsstox_gsid_47929,ksc576i7l,1-methyl-3-benzylimidazolium chloride,1-benzyl-3-methylimidaz-olium chloride
IUPAC Name	1-benzyl-3-methylimidazol-3-ium;chloride
InChI Key	FCRZSGZCOGHOGF-UHFFFAOYSA-M
Molecular Formula	C11H13ClN2

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N-(3-Aminopropyl)imidazole, 98%

CAS: 5036-48-6 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.18 MDL Number: MFCD00009819 InChI Key: KDHWOCLBMVSZPG-UHFFFAOYSA-N Synonym: 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine PubChem CID: 78736 IUPAC Name: 3-imidazol-1-ylpropan-1-amine SMILES: NCCCN1C=CN=C1

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PubChem CID	78736
CAS	5036-48-6
Molecular Weight (g/mol)	125.18
MDL Number	MFCD00009819
SMILES	NCCCN1C=CN=C1
Synonym	1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine
IUPAC Name	3-imidazol-1-ylpropan-1-amine
InChI Key	KDHWOCLBMVSZPG-UHFFFAOYSA-N
Molecular Formula	C6H11N3

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3-Bromo-6-chloroimidazo[1,2-b]pyridazine, 95%

CAS: 13526-66-4 Molecular Formula: C6H3BrClN3 Molecular Weight (g/mol): 232.465 MDL Number: MFCD09027274 InChI Key: PFHPKMPWBFJZEY-UHFFFAOYSA-N Synonym: 3-bromo-6-chloroimidazo 1,2-b pyridazine,6-chloro-3-bromoimidazo 1,2-a pyridazine,imidazo 1,2-b pyridazine, 3-bromo-6-chloro,3-bromo-6-chloro-imidazo 1,2-b pyridazine,librarion l936,pubchem23320,ksc496o7t,3-brom-6-chlorimidazo 1,2-b pyridazin,6-chloro-3-bromoimidazo 1,2-b pyridazine PubChem CID: 12872323 IUPAC Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine SMILES: C1=CC(=NN2C1=NC=C2Br)Cl

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Specifications

PubChem CID	12872323
CAS	13526-66-4
Molecular Weight (g/mol)	232.465
MDL Number	MFCD09027274
SMILES	C1=CC(=NN2C1=NC=C2Br)Cl
Synonym	3-bromo-6-chloroimidazo 1,2-b pyridazine,6-chloro-3-bromoimidazo 1,2-a pyridazine,imidazo 1,2-b pyridazine, 3-bromo-6-chloro,3-bromo-6-chloro-imidazo 1,2-b pyridazine,librarion l936,pubchem23320,ksc496o7t,3-brom-6-chlorimidazo 1,2-b pyridazin,6-chloro-3-bromoimidazo 1,2-b pyridazine
IUPAC Name	3-bromo-6-chloroimidazo[1,2-b]pyridazine
InChI Key	PFHPKMPWBFJZEY-UHFFFAOYSA-N
Molecular Formula	C6H3BrClN3

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5-Aminoimidazole-4-carboxamide, 95%

CAS: 360-97-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD02181040 InChI Key: DVNYTAVYBRSTGK-UHFFFAOYSA-N Synonym: 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole PubChem CID: 9679 ChEBI: CHEBI:2030 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N)N=CN1

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Specifications

PubChem CID	9679
CAS	360-97-4
Molecular Weight (g/mol)	126.12
ChEBI	CHEBI:2030
MDL Number	MFCD02181040
SMILES	NC(=O)C1=C(N)N=CN1
Synonym	5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole
IUPAC Name	4-amino-1H-imidazole-5-carboxamide
InChI Key	DVNYTAVYBRSTGK-UHFFFAOYSA-N
Molecular Formula	C4H6N4O

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1-(trans-Cinnamoyl)imidazole, 98%, Thermo Scientific Chemicals

CAS: 1138-15-4 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.225 MDL Number: MFCD00005288 InChI Key: XVGXMXZUJNAGFZ-VOTSOKGWSA-N Synonym: n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one PubChem CID: 5357650 IUPAC Name: (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2

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Specifications

PubChem CID	5357650
CAS	1138-15-4
Molecular Weight (g/mol)	198.225
MDL Number	MFCD00005288
SMILES	C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2
Synonym	n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one
IUPAC Name	(E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one
InChI Key	XVGXMXZUJNAGFZ-VOTSOKGWSA-N
Molecular Formula	C12H10N2O

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1-Methyl-5-(tri-n-butylstannyl)imidazole, 90+%, Thermo Scientific™

CAS: 147716-03-8 Molecular Formula: C16H32N2Sn Molecular Weight (g/mol): 371.156 MDL Number: MFCD01319031 InChI Key: OGYWKJKAIAEDQX-UHFFFAOYSA-N PubChem CID: 10915651 IUPAC Name: tributyl-(3-methylimidazol-4-yl)stannane SMILES: CCCC[Sn](CCCC)(CCCC)C1=CN=CN1C

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Specifications

PubChem CID	10915651
CAS	147716-03-8
Molecular Weight (g/mol)	371.156
MDL Number	MFCD01319031
SMILES	CCCC[Sn](CCCC)(CCCC)C1=CN=CN1C
IUPAC Name	tributyl-(3-methylimidazol-4-yl)stannane
InChI Key	OGYWKJKAIAEDQX-UHFFFAOYSA-N
Molecular Formula	C16H32N2Sn

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1-Benzylimidazole, 98+%

CAS: 4238-71-5 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00005296 InChI Key: KKKDZZRICRFGSD-UHFFFAOYSA-N Synonym: 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole PubChem CID: 77918 IUPAC Name: 1-benzylimidazole SMILES: C(N1C=CN=C1)C1=CC=CC=C1

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Specifications

PubChem CID	77918
CAS	4238-71-5
Molecular Weight (g/mol)	158.20
MDL Number	MFCD00005296
SMILES	C(N1C=CN=C1)C1=CC=CC=C1
Synonym	1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole
IUPAC Name	1-benzylimidazole
InChI Key	KKKDZZRICRFGSD-UHFFFAOYSA-N
Molecular Formula	C10H10N2

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2-Phenylbenzimidazole, 97%

CAS: 716-79-0 Molecular Formula: C13H10N2 Molecular Weight (g/mol): 194.24 MDL Number: MFCD00005592 InChI Key: DWYHDSLIWMUSOO-UHFFFAOYSA-N Synonym: 2-phenylbenzimidazole,2-phenyl-1h-benzo d imidazole,phenizidole,phenzidole,phenzidol,gainex,1h-benzimidazole, 2-phenyl,benzimidazole, 2-phenyl,2-phenylbenzimdazole,2-phenyl-1h-benzoimidazole PubChem CID: 12855 SMILES: N1C2=CC=CC=C2N=C1C1=CC=CC=C1

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Specifications

PubChem CID	12855
CAS	716-79-0
Molecular Weight (g/mol)	194.24
MDL Number	MFCD00005592
SMILES	N1C2=CC=CC=C2N=C1C1=CC=CC=C1
Synonym	2-phenylbenzimidazole,2-phenyl-1h-benzo d imidazole,phenizidole,phenzidole,phenzidol,gainex,1h-benzimidazole, 2-phenyl,benzimidazole, 2-phenyl,2-phenylbenzimdazole,2-phenyl-1h-benzoimidazole
InChI Key	DWYHDSLIWMUSOO-UHFFFAOYSA-N
Molecular Formula	C13H10N2

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5-Methylimidazole-4-carboxaldehyde, 99%, Thermo Scientific Chemicals

CAS: 68282-53-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00173728 InChI Key: KMWCSNCNHSEXIF-UHFFFAOYSA-N Synonym: 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs PubChem CID: 2795887 IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde SMILES: CC1=C(C=O)N=CN1

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Specifications

PubChem CID	2795887
CAS	68282-53-1
Molecular Weight (g/mol)	110.12
MDL Number	MFCD00173728
SMILES	CC1=C(C=O)N=CN1
Synonym	4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs
IUPAC Name	5-methyl-1H-imidazole-4-carbaldehyde
InChI Key	KMWCSNCNHSEXIF-UHFFFAOYSA-N
Molecular Formula	C5H6N2O

1-Methyl-1H-imidazole-4-sulfonyl chloride, 95+%, Thermo Scientific™

CAS: 137049-00-4 Molecular Formula: C4H5ClN2O2S Molecular Weight (g/mol): 180.61 MDL Number: MFCD00068060 InChI Key: KXUGUWTUFUWYRS-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-4-sulfonyl chloride,1-methyl-1h-imidazole-4-sulphonyl chloride,1h-imidazole-4-sulfonyl chloride, 1-methyl,1-methylimidazole-4-sulfonylchloride,1-methylimidazole-4-sulphonyl chloride,chloro 1-methylimidazol-4-yl sulfone,2-methoxymethylpropenal,acmc-209cak,buttpark 27\06-11,1-methylimidazol-4-sulfonylchloride PubChem CID: 2736887 IUPAC Name: 1-methylimidazole-4-sulfonyl chloride SMILES: CN1C=NC(=C1)S(Cl)(=O)=O

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Specifications

PubChem CID	2736887
CAS	137049-00-4
Molecular Weight (g/mol)	180.61
MDL Number	MFCD00068060
SMILES	CN1C=NC(=C1)S(Cl)(=O)=O
Synonym	1-methyl-1h-imidazole-4-sulfonyl chloride,1-methyl-1h-imidazole-4-sulphonyl chloride,1h-imidazole-4-sulfonyl chloride, 1-methyl,1-methylimidazole-4-sulfonylchloride,1-methylimidazole-4-sulphonyl chloride,chloro 1-methylimidazol-4-yl sulfone,2-methoxymethylpropenal,acmc-209cak,buttpark 27\06-11,1-methylimidazol-4-sulfonylchloride
IUPAC Name	1-methylimidazole-4-sulfonyl chloride
InChI Key	KXUGUWTUFUWYRS-UHFFFAOYSA-N
Molecular Formula	C4H5ClN2O2S

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2-Aminoimidazole hemisulfate, 98+%

CAS: 1450-93-7 Molecular Formula: C6H12N6O4S Molecular Weight (g/mol): 264.26 MDL Number: MFCD00013162 InChI Key: KUWRLKJYNASPQZ-UHFFFAOYSA-N Synonym: 2-aminoimidazole hemisulfate,1h-imidazol-2-amine sulfate 2:1,bis 1h-imidazol-2-amine ; sulfuric acid,2-aminoimidazole sulphate,bis 2-aminoimidazole sulfate,1h-imidazol-2-amine sulfurate,2-aminoimidazole sulfate 2:1,1h-imidazol-2-amine, sulfate 2:1,pubchem8378,aminoimidazole hemisulfate PubChem CID: 2734684 SMILES: OS(O)(=O)=O.NC1=NC=CN1.NC1=NC=CN1

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Specifications

PubChem CID	2734684
CAS	1450-93-7
Molecular Weight (g/mol)	264.26
MDL Number	MFCD00013162
SMILES	OS(O)(=O)=O.NC1=NC=CN1.NC1=NC=CN1
Synonym	2-aminoimidazole hemisulfate,1h-imidazol-2-amine sulfate 2:1,bis 1h-imidazol-2-amine ; sulfuric acid,2-aminoimidazole sulphate,bis 2-aminoimidazole sulfate,1h-imidazol-2-amine sulfurate,2-aminoimidazole sulfate 2:1,1h-imidazol-2-amine, sulfate 2:1,pubchem8378,aminoimidazole hemisulfate
InChI Key	KUWRLKJYNASPQZ-UHFFFAOYSA-N
Molecular Formula	C6H12N6O4S

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1-Butyl-2,3-dimethylimidazolium chloride, 99%

CAS: 98892-75-2 Molecular Formula: C9H17ClN2 Molecular Weight (g/mol): 188.699 MDL Number: MFCD03093291 InChI Key: HHHYPTORQNESCU-UHFFFAOYSA-M Synonym: 1-butyl-2,3-dimethylimidazolium chloride,1-butyl-2,3-dimethyl-1h-imidazol-3-ium chloride,1-butyl-2,3-dimethylimidazol-1-ium chloride,3-butyl-1,2-dimethylimidazol-1-ium chloride,acmc-209sba,dsstox_cid_27882,dsstox_rid_82635,dsstox_gsid_47906,1-butyl-2,3-dimethylimidazoliumchloride,1-butyl-2,3-dime-thylimidazolium chloride PubChem CID: 2734167 IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;chloride SMILES: CCCCN1C=C[N+](=C1C)C.[Cl-]

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Specifications

PubChem CID	2734167
CAS	98892-75-2
Molecular Weight (g/mol)	188.699
MDL Number	MFCD03093291
SMILES	CCCCN1C=C[N+](=C1C)C.[Cl-]
Synonym	1-butyl-2,3-dimethylimidazolium chloride,1-butyl-2,3-dimethyl-1h-imidazol-3-ium chloride,1-butyl-2,3-dimethylimidazol-1-ium chloride,3-butyl-1,2-dimethylimidazol-1-ium chloride,acmc-209sba,dsstox_cid_27882,dsstox_rid_82635,dsstox_gsid_47906,1-butyl-2,3-dimethylimidazoliumchloride,1-butyl-2,3-dime-thylimidazolium chloride
IUPAC Name	1-butyl-2,3-dimethylimidazol-3-ium;chloride
InChI Key	HHHYPTORQNESCU-UHFFFAOYSA-M
Molecular Formula	C9H17ClN2

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1-Allylimidazole, 97%

CAS: 31410-01-2 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00037894 InChI Key: XLXCHZCQTCBUOX-UHFFFAOYSA-N Synonym: 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # PubChem CID: 35794 IUPAC Name: 1-prop-2-enylimidazole SMILES: C=CCN1C=CN=C1

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Specifications

PubChem CID	35794
CAS	31410-01-2
Molecular Weight (g/mol)	108.14
MDL Number	MFCD00037894
SMILES	C=CCN1C=CN=C1
Synonym	1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole #
IUPAC Name	1-prop-2-enylimidazole
InChI Key	XLXCHZCQTCBUOX-UHFFFAOYSA-N
Molecular Formula	C6H8N2

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