Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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Kerosene (Odorless), Fisher Chemical™

CAS: 64742-47-8 MDL Number: MFCD00135561

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CAS	64742-47-8
MDL Number	MFCD00135561

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Guanidine Thiocyanate (White Crystalline Powder), Fisher BioReagents™

CAS: 593-84-0 Molecular Formula: C₂H₆N₄S Synonym: Guanidinium Isothiocyanate

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Specifications

CAS	593-84-0
Synonym	Guanidinium Isothiocyanate
Molecular Formula	C₂H₆N₄S

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D-Galactose (White to Off-white Powder), Fisher BioReagents

CAS: 59-23-4 Molecular Formula: C₆H₁₂O₆

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Specifications

CAS	59-23-4
Molecular Formula	C₆H₁₂O₆

Pepstatin A, Fisher BioReagents

CAS: 26305-03-3 Molecular Formula: C34H63N5O9 Molecular Weight (g/mol): 685.904 InChI Key: FAXGPCHRFPCXOO-WQILDUGRSA-N Synonym: pepstatin a PubChem CID: 131801262 IUPAC Name: (3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

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Specifications

PubChem CID	131801262
CAS	26305-03-3
Molecular Weight (g/mol)	685.904
SMILES	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Synonym	pepstatin a
IUPAC Name	(3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI Key	FAXGPCHRFPCXOO-WQILDUGRSA-N
Molecular Formula	C34H63N5O9

2-chloromalonaldehyde, 95%

CAS: 36437-19-1 MDL Number: MFCD01320489 InChI Key: KTRZQCIGJUWSGE-UHFFFAOYSA-N Synonym: 2-chloromalonaldehyde,chloromalonaldehyde,propanedial, chloro,chloromalonalde-hyde,2-chloro-malonaldehyde,propanedial, 2-chloro,2-chloropropane-1,3-dial,chloromalonaldehyde; chloromalondialdehyde; chloromalonic dialdehyde;2-chloromalonaldehyde PubChem CID: 147646 IUPAC Name: 2-chloropropanedial SMILES: C(=O)C(C=O)Cl

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PubChem CID	147646
CAS	36437-19-1
MDL Number	MFCD01320489
SMILES	C(=O)C(C=O)Cl
Synonym	2-chloromalonaldehyde,chloromalonaldehyde,propanedial, chloro,chloromalonalde-hyde,2-chloro-malonaldehyde,propanedial, 2-chloro,2-chloropropane-1,3-dial,chloromalonaldehyde; chloromalondialdehyde; chloromalonic dialdehyde;2-chloromalonaldehyde
IUPAC Name	2-chloropropanedial
InChI Key	KTRZQCIGJUWSGE-UHFFFAOYSA-N

MilliporeSigma™ Mastoparan, Calbiochem™,

CAS: 72093-21-1 Molecular Formula: C70H131N19O15 Molecular Weight (g/mol): 1478.94 MDL Number: MFCD00076865 InChI Key: MASXKPLGZRMBJF-HDSAQESISA-N Synonym: mastoparan,mastoparan, vespula lewisii,inlkalaalakkil-nh2,mastoparan, vespula lewisii hplc , powder,ile-asn-leu-lys-ala-leu-ala-ala-leu-ala-lys-lys-ile-leu-nh2,l-isoleucyl-l-asparaginyl-l-leucyl-l-lysyl-l-alanyl-l-leucyl-l-alanyl-l-alanyl-l-leucyl-l-alanyl-l-lysyl-l-lysyl-l-isoleucyl-l-leucinamide PubChem CID: 6324633 ChEBI: CHEBI:78496 IUPAC Name: (2S)-N-[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]butanediamide SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O

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Specifications

PubChem CID	6324633
CAS	72093-21-1
Molecular Weight (g/mol)	1478.94
ChEBI	CHEBI:78496
MDL Number	MFCD00076865
SMILES	CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O
Synonym	mastoparan,mastoparan, vespula lewisii,inlkalaalakkil-nh2,mastoparan, vespula lewisii hplc , powder,ile-asn-leu-lys-ala-leu-ala-ala-leu-ala-lys-lys-ile-leu-nh2,l-isoleucyl-l-asparaginyl-l-leucyl-l-lysyl-l-alanyl-l-leucyl-l-alanyl-l-alanyl-l-leucyl-l-alanyl-l-lysyl-l-lysyl-l-isoleucyl-l-leucinamide
IUPAC Name	(2S)-N-[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]butanediamide
InChI Key	MASXKPLGZRMBJF-HDSAQESISA-N
Molecular Formula	C70H131N19O15

1,2-Dipiperidinoethane, 98%

CAS: 4-3-1932 Molecular Formula: C₁₂H₂₄N₂ Molecular Weight (g/mol): 196.33 MDL Number: MFCD00014644 InChI Key: UYMQPNRUQXPLCY-UHFFFAOYSA-N Synonym: 1,2-dipiperidinoethane,1,2-dipiperidinylethane,piperidine, 1,1'-1,2-ethanediyl bis,1-2-piperidin-1-ylethyl piperidine,1,2-di piperidin-1-yl ethane,1,2-bis piperidino ethane,piperidine, 1,1'-ethylenedi,1-2-piperidin-1-yl ethyl piperidine,1,1'-ethylenedipiperidine,piperidine,1'-ethylenedi PubChem CID: 74733

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Specifications

PubChem CID	74733
CAS	4-3-1932
Molecular Weight (g/mol)	196.33
MDL Number	MFCD00014644
Synonym	1,2-dipiperidinoethane,1,2-dipiperidinylethane,piperidine, 1,1'-1,2-ethanediyl bis,1-2-piperidin-1-ylethyl piperidine,1,2-di piperidin-1-yl ethane,1,2-bis piperidino ethane,piperidine, 1,1'-ethylenedi,1-2-piperidin-1-yl ethyl piperidine,1,1'-ethylenedipiperidine,piperidine,1'-ethylenedi
InChI Key	UYMQPNRUQXPLCY-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₄N₂

Thermo Scientific™ Benazepril (hydrochloride)

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(S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid, 98%, 94% ee

CAS: 2280-27-5 Molecular Formula: C₅H₁₁NO₃ Molecular Weight (g/mol): 133.15 InChI Key: LDRFQSZFVGJGGP-GSVOUGTGSA-N Synonym: s-2-amino-3-hydroxy-3-methylbutanoic acid,3-hydroxy-l-valine,s-+-2-amino-3-hydroxy-3-methylbutanoic acid,beta-hydroxy-l-valine,valine, 3-hydroxy,2s-2-amino-3-hydroxy-3-methylbutanoic acid,2s-2-amino-3-hydroxy-3-methyl-butanoic acid,3-hydroxyvaline,3-methylthreonine,3-hydroxy-l-val PubChem CID: 192763 IUPAC Name: (2S)-2-amino-3-hydroxy-3-methylbutanoic acid SMILES: CC(C)(C(C(=O)O)N)O

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Specifications

PubChem CID	192763
CAS	2280-27-5
Molecular Weight (g/mol)	133.15
SMILES	CC(C)(C(C(=O)O)N)O
Synonym	s-2-amino-3-hydroxy-3-methylbutanoic acid,3-hydroxy-l-valine,s-+-2-amino-3-hydroxy-3-methylbutanoic acid,beta-hydroxy-l-valine,valine, 3-hydroxy,2s-2-amino-3-hydroxy-3-methylbutanoic acid,2s-2-amino-3-hydroxy-3-methyl-butanoic acid,3-hydroxyvaline,3-methylthreonine,3-hydroxy-l-val
IUPAC Name	(2S)-2-amino-3-hydroxy-3-methylbutanoic acid
InChI Key	LDRFQSZFVGJGGP-GSVOUGTGSA-N
Molecular Formula	C₅H₁₁NO₃

L-3,4-Dihydroxyphenylalanine methyl ester hydrochloride, 95%

CAS: 1421-65-4 Molecular Formula: C10H14ClNO4 Molecular Weight (g/mol): 247.68 InChI Key: WFGNJLMSYIJWII-UHFFFAOYNA-N Synonym: s-methyl 2-amino-3-3,4-dihydroxyphenyl propanoate hydrochloride,l-3,4-dihydroxyphenylalanine methyl ester hydrochloride,methyl l-dopa hydrochloride,melevodopa hydrochloride,unii-jfu1a8866v,l-dopa methyl ester hydrochloride,levodopa methyl ester hydrochloride,l-tyrosine, 3-hydroxy-, methyl ester, hydrochloride,dsstox_cid_25763,dsstox_rid_81105 PubChem CID: 10131132 SMILES: [H+].[Cl-].COC(=O)C(N)CC1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	10131132
CAS	1421-65-4
Molecular Weight (g/mol)	247.68
SMILES	[H+].[Cl-].COC(=O)C(N)CC1=CC=C(O)C(O)=C1
Synonym	s-methyl 2-amino-3-3,4-dihydroxyphenyl propanoate hydrochloride,l-3,4-dihydroxyphenylalanine methyl ester hydrochloride,methyl l-dopa hydrochloride,melevodopa hydrochloride,unii-jfu1a8866v,l-dopa methyl ester hydrochloride,levodopa methyl ester hydrochloride,l-tyrosine, 3-hydroxy-, methyl ester, hydrochloride,dsstox_cid_25763,dsstox_rid_81105
InChI Key	WFGNJLMSYIJWII-UHFFFAOYNA-N
Molecular Formula	C10H14ClNO4

2,2-Dimethylcyclopentanone, 97%

CAS: 4541-32-6 Molecular Formula: C₇H₁₂O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00049164 InChI Key: FTGZMZBYOHMEPS-UHFFFAOYSA-N Synonym: 2,2-dimethylcyclopentanone,cyclopentanone, 2,2-dimethyl,cyclopentanone, dimethyl,zlchem 1228,2,2 dimethylcyclopentanone,2,2-dimethyl-cyclopentanone,2,2-dimethylcyclo pentanone,2,2-dimethylcyclo-pentanone,2,2-dimethyl-cyclopentan-1-one PubChem CID: 138286 IUPAC Name: 2,2-dimethylcyclopentan-1-one SMILES: CC1(CCCC1=O)C

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Specifications

PubChem CID	138286
CAS	4541-32-6
Molecular Weight (g/mol)	112.17
MDL Number	MFCD00049164
SMILES	CC1(CCCC1=O)C
Synonym	2,2-dimethylcyclopentanone,cyclopentanone, 2,2-dimethyl,cyclopentanone, dimethyl,zlchem 1228,2,2 dimethylcyclopentanone,2,2-dimethyl-cyclopentanone,2,2-dimethylcyclo pentanone,2,2-dimethylcyclo-pentanone,2,2-dimethyl-cyclopentan-1-one
IUPAC Name	2,2-dimethylcyclopentan-1-one
InChI Key	FTGZMZBYOHMEPS-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O

N-Fmoc-L-glutamic acid, 95%

CAS: 121343-82-6 Molecular Formula: C20H19NO6 Molecular Weight (g/mol): 369.373 MDL Number: MFCD00237657 InChI Key: QEPWHIXHJNNGLU-KRWDZBQOSA-N Synonym: fmoc-glu-oh,fmoc-l-glutamic acid,s-2-9h-fluoren-9-yl methoxy carbonyl amino pentanedioic acid,n-fmoc-l-glutamic acid,fmoc-glu,n-9h-fluoren-9-ylmethoxy carbonyl-l-glutamic acid,l-glutamic acid, n-9h-fluoren-9-ylmethoxy carbonyl,2s-2-fluoren-9-ylmethoxy carbonylamino pentanedioic acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino pentanedioic acid PubChem CID: 7019018 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC(=O)O)C(=O)O

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Specifications

PubChem CID	7019018
CAS	121343-82-6
Molecular Weight (g/mol)	369.373
MDL Number	MFCD00237657
SMILES	C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC(=O)O)C(=O)O
Synonym	fmoc-glu-oh,fmoc-l-glutamic acid,s-2-9h-fluoren-9-yl methoxy carbonyl amino pentanedioic acid,n-fmoc-l-glutamic acid,fmoc-glu,n-9h-fluoren-9-ylmethoxy carbonyl-l-glutamic acid,l-glutamic acid, n-9h-fluoren-9-ylmethoxy carbonyl,2s-2-fluoren-9-ylmethoxy carbonylamino pentanedioic acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino pentanedioic acid
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid
InChI Key	QEPWHIXHJNNGLU-KRWDZBQOSA-N
Molecular Formula	C20H19NO6

Manganese(III) 2,4-pentanedionate

CAS: 14284-89-0 Molecular Formula: C15H21MnO6 Molecular Weight (g/mol): 352.27 MDL Number: MFCD00000023 InChI Key: HYZQBNDRDQEWAN-LNTINUHCSA-K Synonym: mn iii acetylacetonate,tris acetylacetonato manganese iii PubChem CID: 122130696 IUPAC Name: manganese(3+);(E)-4-oxopent-2-en-2-olate SMILES: [Mn+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

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Specifications

PubChem CID	122130696
CAS	14284-89-0
Molecular Weight (g/mol)	352.27
MDL Number	MFCD00000023
SMILES	[Mn+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym	mn iii acetylacetonate,tris acetylacetonato manganese iii
IUPAC Name	manganese(3+);(E)-4-oxopent-2-en-2-olate
InChI Key	HYZQBNDRDQEWAN-LNTINUHCSA-K
Molecular Formula	C15H21MnO6

Cobalt(III) 2,4-pentanedionate

CAS: 21679-46-9 Molecular Formula: C15H21CoO6 Molecular Weight (g/mol): 356.26 MDL Number: MFCD00013488 InChI Key: VACIXPOMJJIDBM-UHFFFAOYSA-N Synonym: Cobalt(III) acetylacetonate IUPAC Name: 2,4,8,10,13,15-hexamethyl-1λ³,5λ³,7λ³,11λ³,12λ³,16λ³-hexaoxa-6-cobaltaspiro[5.5⁶.5⁶]hexadeca-1,4,7,10,12,15-hexaene-6,6,6-tris(ylium)-3,9,14-triide SMILES: CC1=[O][Co+3]234([O]=C(C)[CH-]1)[O]=C(C)[CH-]C(C)=[O]2.CC([CH-]C(C)=[O]3)=[O]4

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Specifications

CAS	21679-46-9
Molecular Weight (g/mol)	356.26
MDL Number	MFCD00013488
SMILES	CC1=[O][Co+3]234([O]=C(C)[CH-]1)[O]=C(C)[CH-]C(C)=[O]2.CC([CH-]C(C)=[O]3)=[O]4
Synonym	Cobalt(III) acetylacetonate
IUPAC Name	2,4,8,10,13,15-hexamethyl-1λ³,5λ³,7λ³,11λ³,12λ³,16λ³-hexaoxa-6-cobaltaspiro[5.5⁶.5⁶]hexadeca-1,4,7,10,12,15-hexaene-6,6,6-tris(ylium)-3,9,14-triide
InChI Key	VACIXPOMJJIDBM-UHFFFAOYSA-N
Molecular Formula	C15H21CoO6

Ethyl 1-Boc-piperazine-3-carboxylate, 97%

CAS: 183742-29-2 Molecular Formula: C12H22N2O4 Molecular Weight (g/mol): 258.318 MDL Number: MFCD13172266 InChI Key: IQKOVLZJPVVLOZ-UHFFFAOYSA-N Synonym: 1-tert-butyl 3-ethyl piperazine-1,3-dicarboxylate,1-boc-3-piperazinecarboxylic acid ethyl ester,1-n-boc-3-piperazinecarboxylic acid ethyl ester,1-tert-butoxycarbonyl-3-ethoxycarbonylpiperazine,1-tert-butyl3-ethylpiperazine-1,3-dicarboxylate,1-tert-butyl-3-ethylpiperazine-1,3-dicarboxylate,ethyl 4-tert-butoxycarbonyl-2-piperazinecarboxylate,1-1,1-dimethylethyl 3-ethyl 1,3-piperazinedicarboxylate,1-tert-butoxycarbonylpiperazine-3-carboxylic acid ethyl ester,ethyl 4-1,1-dimethylethoxycarbonyl-2-piperazinecarboxylate PubChem CID: 11402671 IUPAC Name: 1-O-tert-butyl 3-O-ethyl piperazine-1,3-dicarboxylate SMILES: CCOC(=O)C1CN(CCN1)C(=O)OC(C)(C)C

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Specifications

PubChem CID	11402671
CAS	183742-29-2
Molecular Weight (g/mol)	258.318
MDL Number	MFCD13172266
SMILES	CCOC(=O)C1CN(CCN1)C(=O)OC(C)(C)C
Synonym	1-tert-butyl 3-ethyl piperazine-1,3-dicarboxylate,1-boc-3-piperazinecarboxylic acid ethyl ester,1-n-boc-3-piperazinecarboxylic acid ethyl ester,1-tert-butoxycarbonyl-3-ethoxycarbonylpiperazine,1-tert-butyl3-ethylpiperazine-1,3-dicarboxylate,1-tert-butyl-3-ethylpiperazine-1,3-dicarboxylate,ethyl 4-tert-butoxycarbonyl-2-piperazinecarboxylate,1-1,1-dimethylethyl 3-ethyl 1,3-piperazinedicarboxylate,1-tert-butoxycarbonylpiperazine-3-carboxylic acid ethyl ester,ethyl 4-1,1-dimethylethoxycarbonyl-2-piperazinecarboxylate
IUPAC Name	1-O-tert-butyl 3-O-ethyl piperazine-1,3-dicarboxylate
InChI Key	IQKOVLZJPVVLOZ-UHFFFAOYSA-N
Molecular Formula	C12H22N2O4

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