Secondary amines

Organic compounds and functional groups that contain a basic nitrogen atom with a lone pair. Secondary amines have a nitrogen atom bonded to one hydrogen atom, and two carbon atoms or other functional groups.

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Dibutylamine (Reagent), Fisher Chemical™

CAS: 111-92-2 Molecular Formula: C8H19N Molecular Weight (g/mol): 129.247 MDL Number: MFCD00009429 InChI Key: JQVDAXLFBXTEQA-UHFFFAOYSA-N Synonym: dibutylamine,di-n-butylamine,1-butanamine, n-butyl,n-butyl-1-butanamine,dibutilamina,n-dibutylamine,di-n-butyl amine,dibutyl amine,di-normal-butylamine,dibutyl-amine PubChem CID: 8148 IUPAC Name: N-butylbutan-1-amine SMILES: CCCCNCCCC

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Specifications

PubChem CID	8148
CAS	111-92-2
Molecular Weight (g/mol)	129.247
MDL Number	MFCD00009429
SMILES	CCCCNCCCC
Synonym	dibutylamine,di-n-butylamine,1-butanamine, n-butyl,n-butyl-1-butanamine,dibutilamina,n-dibutylamine,di-n-butyl amine,dibutyl amine,di-normal-butylamine,dibutyl-amine
IUPAC Name	N-butylbutan-1-amine
InChI Key	JQVDAXLFBXTEQA-UHFFFAOYSA-N
Molecular Formula	C8H19N

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N-(1-Naphthyl)ethylenediamine dihydrochloride, ACS

CAS: 1465-25-4 Molecular Formula: C12H16Cl2N2 Molecular Weight (g/mol): 259.174 MDL Number: MFCD00012556 InChI Key: MZNYWPRCVDMOJG-UHFFFAOYSA-N Synonym: n-1-naphthyl ethylenediamine dihydrochloride,n1-naphthalen-1-yl ethane-1,2-diamine dihydrochloride,marshall's reagent,n-1-naphthylethylenediamine dihydrochloride,ccris 425,unii-h734599kjl,1,2-ethanediamine, n-1-naphthalenyl-, dihydrochloride,2-1-naphthylamino ethylamine 2hcl,bratton-marshall reagent,n-1-naphthalenyl-1,2-ethanediamine dihydrochloride PubChem CID: 15106 ChEBI: CHEBI:53452 IUPAC Name: N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride SMILES: C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl

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Specifications

PubChem CID	15106
CAS	1465-25-4
Molecular Weight (g/mol)	259.174
ChEBI	CHEBI:53452
MDL Number	MFCD00012556
SMILES	C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl
Synonym	n-1-naphthyl ethylenediamine dihydrochloride,n1-naphthalen-1-yl ethane-1,2-diamine dihydrochloride,marshall's reagent,n-1-naphthylethylenediamine dihydrochloride,ccris 425,unii-h734599kjl,1,2-ethanediamine, n-1-naphthalenyl-, dihydrochloride,2-1-naphthylamino ethylamine 2hcl,bratton-marshall reagent,n-1-naphthalenyl-1,2-ethanediamine dihydrochloride
IUPAC Name	N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride
InChI Key	MZNYWPRCVDMOJG-UHFFFAOYSA-N
Molecular Formula	C12H16Cl2N2

N1-Methyl-4-(trifluoromethoxy)aniline, 95%, Thermo Scientific™

CAS: 41419-59-4 Molecular Formula: C8H8F3NO Molecular Weight (g/mol): 191.153 MDL Number: MFCD00052332 InChI Key: MGCCWCLGIPNIBP-UHFFFAOYSA-N Synonym: n-methyl-4-trifluoromethoxy aniline,n1-methyl-4-trifluoromethoxy aniline,benzenamine,n-methyl-4-trifluoromethoxy,methyl 4-trifluoromethoxy phenyl amine,pubchem8511,4-trifluoromethoxy-n-methylaniline,methyl 4-trifluoromethoxyphenyl amine,methyl-4-trifluoromethoxy-phenyl-amine,n-methyl-4-trifluoromethoxyphenyl amine PubChem CID: 737351 IUPAC Name: N-methyl-4-(trifluoromethoxy)aniline SMILES: CNC1=CC=C(C=C1)OC(F)(F)F

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Specifications

PubChem CID	737351
CAS	41419-59-4
Molecular Weight (g/mol)	191.153
MDL Number	MFCD00052332
SMILES	CNC1=CC=C(C=C1)OC(F)(F)F
Synonym	n-methyl-4-trifluoromethoxy aniline,n1-methyl-4-trifluoromethoxy aniline,benzenamine,n-methyl-4-trifluoromethoxy,methyl 4-trifluoromethoxy phenyl amine,pubchem8511,4-trifluoromethoxy-n-methylaniline,methyl 4-trifluoromethoxyphenyl amine,methyl-4-trifluoromethoxy-phenyl-amine,n-methyl-4-trifluoromethoxyphenyl amine
IUPAC Name	N-methyl-4-(trifluoromethoxy)aniline
InChI Key	MGCCWCLGIPNIBP-UHFFFAOYSA-N
Molecular Formula	C8H8F3NO

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Tetraethylenepentamine, technical

CAS: 112-57-2 Molecular Formula: C8H23N5 Molecular Weight (g/mol): 189.31 MDL Number: MFCD00008168 InChI Key: FAGUFWYHJQFNRV-UHFFFAOYSA-N Synonym: tetraethylenepentamine,tetren,1,4,7,10,13-pentaazatridecane,tetraethylene pentamine,tetraethylpentylamine,1,11-diamino-3,6,9-triazaundecane,3,6,9-triazaundecamethylenediamine,3,6,9-triazaundecane-1,11-diamine,deh 26,unii-yzd1c9kq28 PubChem CID: 8197 ChEBI: CHEBI:49798 IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine SMILES: NCCNCCNCCNCCN

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Specifications

PubChem CID	8197
CAS	112-57-2
Molecular Weight (g/mol)	189.31
ChEBI	CHEBI:49798
MDL Number	MFCD00008168
SMILES	NCCNCCNCCNCCN
Synonym	tetraethylenepentamine,tetren,1,4,7,10,13-pentaazatridecane,tetraethylene pentamine,tetraethylpentylamine,1,11-diamino-3,6,9-triazaundecane,3,6,9-triazaundecamethylenediamine,3,6,9-triazaundecane-1,11-diamine,deh 26,unii-yzd1c9kq28
IUPAC Name	N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
InChI Key	FAGUFWYHJQFNRV-UHFFFAOYSA-N
Molecular Formula	C8H23N5

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Spermidine, 99%

CAS: 124-20-9 Molecular Formula: C7H19N3 Molecular Weight (g/mol): 145.25 MDL Number: MFCD00008229 InChI Key: ATHGHQPFGPMSJY-UHFFFAOYSA-N Synonym: spermidine,1,5,10-triazadecane,4-azaoctamethylenediamine,spermidin,4-azaoctane-1,8-diamine,n1-3-aminopropyl butane-1,4-diamine,1,4-butanediamine, n-3-aminopropyl,n-3-aminopropyl butane-1,4-diamine,n-3-aminopropyl-1,4-butane-diamine,1,4-diaminobutane, n-3-aminopropyl PubChem CID: 1102 ChEBI: CHEBI:16610 IUPAC Name: N'-(3-aminopropyl)butane-1,4-diamine SMILES: NCCCCNCCCN

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Specifications

PubChem CID	1102
CAS	124-20-9
Molecular Weight (g/mol)	145.25
ChEBI	CHEBI:16610
MDL Number	MFCD00008229
SMILES	NCCCCNCCCN
Synonym	spermidine,1,5,10-triazadecane,4-azaoctamethylenediamine,spermidin,4-azaoctane-1,8-diamine,n1-3-aminopropyl butane-1,4-diamine,1,4-butanediamine, n-3-aminopropyl,n-3-aminopropyl butane-1,4-diamine,n-3-aminopropyl-1,4-butane-diamine,1,4-diaminobutane, n-3-aminopropyl
IUPAC Name	N'-(3-aminopropyl)butane-1,4-diamine
InChI Key	ATHGHQPFGPMSJY-UHFFFAOYSA-N
Molecular Formula	C7H19N3

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4-Chloro-N-(4-fluorobenzyl)aniline, 97%, Thermo Scientific™

CAS: 356531-46-9 Molecular Formula: C13H11ClFN Molecular Weight (g/mol): 235.69 MDL Number: MFCD03210761 InChI Key: GHZMAHWNLUETDK-UHFFFAOYSA-N Synonym: 4-chloro-n-4-fluorophenyl methyl aniline,4-chloro-n-4-fluorobenzyl aniline,n-4-fluorobenzyl-4-chloroaniline PubChem CID: 1133333 IUPAC Name: 4-chloro-N-[(4-fluorophenyl)methyl]aniline SMILES: FC1=CC=C(CNC2=CC=C(Cl)C=C2)C=C1

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Specifications

PubChem CID	1133333
CAS	356531-46-9
Molecular Weight (g/mol)	235.69
MDL Number	MFCD03210761
SMILES	FC1=CC=C(CNC2=CC=C(Cl)C=C2)C=C1
Synonym	4-chloro-n-4-fluorophenyl methyl aniline,4-chloro-n-4-fluorobenzyl aniline,n-4-fluorobenzyl-4-chloroaniline
IUPAC Name	4-chloro-N-[(4-fluorophenyl)methyl]aniline
InChI Key	GHZMAHWNLUETDK-UHFFFAOYSA-N
Molecular Formula	C13H11ClFN

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4-(Methylamino)benzonitrile, 97%

CAS: 4714-62-9 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.166 MDL Number: MFCD00016381 InChI Key: JEDXDYXIRZOEKG-UHFFFAOYSA-N Synonym: 4-methylamino benzonitrile,4-n-methylamino benzonitrile,4-cyano-n-methylaniline,4-methylamino-benzonitrile,benzonitrile, 4-methylamino,pubchem4815,4-cyano-n-methyl-aniline,ksc497o2f,4-n-methyl aminobenzonitrile,4-n-methylamino-benzonitrile PubChem CID: 10964551 IUPAC Name: 4-(methylamino)benzonitrile SMILES: CNC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	10964551
CAS	4714-62-9
Molecular Weight (g/mol)	132.166
MDL Number	MFCD00016381
SMILES	CNC1=CC=C(C=C1)C#N
Synonym	4-methylamino benzonitrile,4-n-methylamino benzonitrile,4-cyano-n-methylaniline,4-methylamino-benzonitrile,benzonitrile, 4-methylamino,pubchem4815,4-cyano-n-methyl-aniline,ksc497o2f,4-n-methyl aminobenzonitrile,4-n-methylamino-benzonitrile
IUPAC Name	4-(methylamino)benzonitrile
InChI Key	JEDXDYXIRZOEKG-UHFFFAOYSA-N
Molecular Formula	C8H8N2

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(S)-(+)-2-(Methoxymethyl)pyrrolidine, 98%

CAS: 63126-47-6 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00010408 InChI Key: CHPRFKYDQRKRRK-LURJTMIESA-N Synonym: s-2-methoxymethyl pyrrolidine,s-+-2-methoxymethyl pyrrolidine,2s-2-methoxymethyl pyrrolidine,o-methyl-l-prolinol,s-2-methoxymethyl-pyrrolidine,s-2-methoxymethylpyrrolidine,s-+-2-methoxymethyl pyrolidine,pyrrolidine, 2-methoxymethyl-, 2s,s-+-2-methoxymethyl pyrrplidine,2s pyrrolidin-2-yl methoxymethane PubChem CID: 671217 IUPAC Name: (2S)-2-(methoxymethyl)pyrrolidine SMILES: COCC1CCCN1

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Specifications

PubChem CID	671217
CAS	63126-47-6
Molecular Weight (g/mol)	115.176
MDL Number	MFCD00010408
SMILES	COCC1CCCN1
Synonym	s-2-methoxymethyl pyrrolidine,s-+-2-methoxymethyl pyrrolidine,2s-2-methoxymethyl pyrrolidine,o-methyl-l-prolinol,s-2-methoxymethyl-pyrrolidine,s-2-methoxymethylpyrrolidine,s-+-2-methoxymethyl pyrolidine,pyrrolidine, 2-methoxymethyl-, 2s,s-+-2-methoxymethyl pyrrplidine,2s pyrrolidin-2-yl methoxymethane
IUPAC Name	(2S)-2-(methoxymethyl)pyrrolidine
InChI Key	CHPRFKYDQRKRRK-LURJTMIESA-N
Molecular Formula	C6H13NO

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Di-2-ethylhexylamine, 99%

CAS: 106-20-7 Molecular Formula: C₁₆H₃₅N Molecular Weight (g/mol): 241.46 MDL Number: MFCD00009489 InChI Key: SAIKULLUBZKPDA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl amine,di 2-ethylhexyl amine,diisooctylamine,1-hexanamine, 2-ethyl-n-2-ethylhexyl,bis-2-ethylhexylamine,2,2'-diethyldihexylamine,2,2'-diethylhexylamine,di-2-ethylhexyl amine,dihexylamine, 2,2'-diethyl,ccris 4619 PubChem CID: 7791 IUPAC Name: 2-ethyl-N-(2-ethylhexyl)hexan-1-amine SMILES: CCCCC(CC)CNCC(CC)CCCC

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Specifications

PubChem CID	7791
CAS	106-20-7
Molecular Weight (g/mol)	241.46
MDL Number	MFCD00009489
SMILES	CCCCC(CC)CNCC(CC)CCCC
Synonym	bis 2-ethylhexyl amine,di 2-ethylhexyl amine,diisooctylamine,1-hexanamine, 2-ethyl-n-2-ethylhexyl,bis-2-ethylhexylamine,2,2'-diethyldihexylamine,2,2'-diethylhexylamine,di-2-ethylhexyl amine,dihexylamine, 2,2'-diethyl,ccris 4619
IUPAC Name	2-ethyl-N-(2-ethylhexyl)hexan-1-amine
InChI Key	SAIKULLUBZKPDA-UHFFFAOYSA-N
Molecular Formula	C₁₆H₃₅N

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Diaza-18-crown-6, 98%

CAS: 23978-55-4 Molecular Formula: C12H28N2O4 Molecular Weight (g/mol): 264.37 MDL Number: MFCD00005112 InChI Key: NLMDJJTUQPXZFG-UHFFFAOYSA-P Synonym: kryptofix 22,cryptand 2.2,cryptand 22,diaza-18-crown-6,1,7,10,16-tetraoxa-4,13-diazacyclooctadecane,7,16-diaza-18-crown-6,unii-xly51t1rsz,xly51t1rsz,1,10-diaza-4,7,13,16-tetraoxacyclooctadecane,7,16-diaza-1,4,10,13-tetraoxcyclooctadecane PubChem CID: 72805 IUPAC Name: 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane SMILES: C1COCCOCC[NH2+]CCOCCOCC[NH2+]1

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Specifications

PubChem CID	72805
CAS	23978-55-4
Molecular Weight (g/mol)	264.37
MDL Number	MFCD00005112
SMILES	C1COCCOCC[NH2+]CCOCCOCC[NH2+]1
Synonym	kryptofix 22,cryptand 2.2,cryptand 22,diaza-18-crown-6,1,7,10,16-tetraoxa-4,13-diazacyclooctadecane,7,16-diaza-18-crown-6,unii-xly51t1rsz,xly51t1rsz,1,10-diaza-4,7,13,16-tetraoxacyclooctadecane,7,16-diaza-1,4,10,13-tetraoxcyclooctadecane
IUPAC Name	1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
InChI Key	NLMDJJTUQPXZFG-UHFFFAOYSA-P
Molecular Formula	C12H28N2O4

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N-Isopropylaniline, 98%

CAS: 768-52-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00026347 InChI Key: FRCFWPVMFJMNDP-UHFFFAOYSA-N Synonym: n-isopropylaniline,isopropylaniline,n-phenylisopropylamine,benzenamine, n-1-methylethyl,aniline, n-isopropyl,n-propan-2-yl aniline,n-iso-propylaniline,unii-i7y9616f3r,ccris 4831,2-phenylamino propane PubChem CID: 13032 IUPAC Name: N-propan-2-ylaniline SMILES: CC(C)NC1=CC=CC=C1

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Specifications

PubChem CID	13032
CAS	768-52-5
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00026347
SMILES	CC(C)NC1=CC=CC=C1
Synonym	n-isopropylaniline,isopropylaniline,n-phenylisopropylamine,benzenamine, n-1-methylethyl,aniline, n-isopropyl,n-propan-2-yl aniline,n-iso-propylaniline,unii-i7y9616f3r,ccris 4831,2-phenylamino propane
IUPAC Name	N-propan-2-ylaniline
InChI Key	FRCFWPVMFJMNDP-UHFFFAOYSA-N
Molecular Formula	C9H13N

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N,N'-Bis(3-aminopropyl)-1,3-propanediamine, 94%

CAS: 4605-14-5 Molecular Formula: C9H24N4 Molecular Weight (g/mol): 188.32 MDL Number: MFCD00008213 InChI Key: ZAXCZCOUDLENMH-UHFFFAOYSA-N Synonym: norspermine,n,n'-bis 3-aminopropyl-1,3-propanediamine,1,3-propanediamine, n,n'-bis 3-aminopropyl,n,n'-bis 3-aminopropyl propane-1,3-diamine,1,5,9,13-tetraazatridecane,3,3,3-tetramine,thermine,1,3-propanediamine, n1,n3-bis 3-aminopropyl,n,n-bis 3-aminopropyl-1,3-propanediamine,n1,n1'-propane-1,3-diyl bis propane-1,3-diamine PubChem CID: 78350 ChEBI: CHEBI:45718 IUPAC Name: (3-aminopropyl)({3-[(3-aminopropyl)amino]propyl})amine SMILES: NCCCNCCCNCCCN

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Specifications

PubChem CID	78350
CAS	4605-14-5
Molecular Weight (g/mol)	188.32
ChEBI	CHEBI:45718
MDL Number	MFCD00008213
SMILES	NCCCNCCCNCCCN
Synonym	norspermine,n,n'-bis 3-aminopropyl-1,3-propanediamine,1,3-propanediamine, n,n'-bis 3-aminopropyl,n,n'-bis 3-aminopropyl propane-1,3-diamine,1,5,9,13-tetraazatridecane,3,3,3-tetramine,thermine,1,3-propanediamine, n1,n3-bis 3-aminopropyl,n,n-bis 3-aminopropyl-1,3-propanediamine,n1,n1'-propane-1,3-diyl bis propane-1,3-diamine
IUPAC Name	(3-aminopropyl)({3-[(3-aminopropyl)amino]propyl})amine
InChI Key	ZAXCZCOUDLENMH-UHFFFAOYSA-N
Molecular Formula	C9H24N4

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Indoline, 99%

CAS: 496-15-1 Molecular Formula: C8H9N Molecular Weight (g/mol): 119.167 MDL Number: MFCD00005705 InChI Key: LPAGFVYQRIESJQ-UHFFFAOYSA-N Synonym: indoline,2,3-dihydroindole,1-azaindan,dihydroindole,1h-indole, 2,3-dihydro,azaindane,benzopyrrolidine,aza-indane,indoline, 19,pubchem7502 PubChem CID: 10328 ChEBI: CHEBI:43295 IUPAC Name: 2,3-dihydro-1H-indole SMILES: C1CNC2=CC=CC=C21

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Specifications

PubChem CID	10328
CAS	496-15-1
Molecular Weight (g/mol)	119.167
ChEBI	CHEBI:43295
MDL Number	MFCD00005705
SMILES	C1CNC2=CC=CC=C21
Synonym	indoline,2,3-dihydroindole,1-azaindan,dihydroindole,1h-indole, 2,3-dihydro,azaindane,benzopyrrolidine,aza-indane,indoline, 19,pubchem7502
IUPAC Name	2,3-dihydro-1H-indole
InChI Key	LPAGFVYQRIESJQ-UHFFFAOYSA-N
Molecular Formula	C8H9N

(R)-(-)-2-Methylpyrrolidine, 95%

CAS: 41720-98-3 Molecular Formula: C5H11N Molecular Weight (g/mol): 85.15 MDL Number: MFCD07783026 InChI Key: RGHPCLZJAFCTIK-RXMQYKEDSA-N Synonym: r-2-methylpyrrolidine,r-2-methyl-pyrrolidine,2r-2-methylpyrrolidine,r---2-methylpyrrolidine,r-2-methyl pyrrolidine,2-r-methylpyrrolidine,2r---2-methyltetrahydropyrrole,2r---2-methylpyrrolidine,pyrrolidine, 2-methyl-, 2r,2-methyl-pyrrolidine PubChem CID: 641544 ChEBI: CHEBI:78858 IUPAC Name: (2R)-2-methylpyrrolidine SMILES: CC1CCCN1

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Specifications

PubChem CID	641544
CAS	41720-98-3
Molecular Weight (g/mol)	85.15
ChEBI	CHEBI:78858
MDL Number	MFCD07783026
SMILES	CC1CCCN1
Synonym	r-2-methylpyrrolidine,r-2-methyl-pyrrolidine,2r-2-methylpyrrolidine,r---2-methylpyrrolidine,r-2-methyl pyrrolidine,2-r-methylpyrrolidine,2r---2-methyltetrahydropyrrole,2r---2-methylpyrrolidine,pyrrolidine, 2-methyl-, 2r,2-methyl-pyrrolidine
IUPAC Name	(2R)-2-methylpyrrolidine
InChI Key	RGHPCLZJAFCTIK-RXMQYKEDSA-N
Molecular Formula	C5H11N

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Kinetin, 99%

CAS: 525-79-1 Molecular Formula: C₁₀H₉N₅O Molecular Weight (g/mol): 215.21 InChI Key: QANMHLXAZMSUEX-UHFFFAOYSA-N Synonym: kinetin,6-furfurylaminopurine,6-furfurylamino purine,6-furfuryladenine,n6-furfuryladenine,n-furfuryladenine,cytokinin,n-furan-2-ylmethyl-9h-purin-6-amine,n6-furfurylamino purine,adenine, n-furfuryl PubChem CID: 3830 ChEBI: CHEBI:27407 IUPAC Name: N-(furan-2-ylmethyl)-7H-purin-6-amine SMILES: C1=COC(=C1)CNC2=NC=NC3=C2NC=N3

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Specifications

PubChem CID	3830
CAS	525-79-1
Molecular Weight (g/mol)	215.21
ChEBI	CHEBI:27407
SMILES	C1=COC(=C1)CNC2=NC=NC3=C2NC=N3
Synonym	kinetin,6-furfurylaminopurine,6-furfurylamino purine,6-furfuryladenine,n6-furfuryladenine,n-furfuryladenine,cytokinin,n-furan-2-ylmethyl-9h-purin-6-amine,n6-furfurylamino purine,adenine, n-furfuryl
IUPAC Name	N-(furan-2-ylmethyl)-7H-purin-6-amine
InChI Key	QANMHLXAZMSUEX-UHFFFAOYSA-N
Molecular Formula	C₁₀H₉N₅O

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