5-(Aminomethyl)indole - CAS 81881-74-5

Catalog:	BB036722
Product Name:	5-(Aminomethyl)indole
CAS:	81881-74-5
Synonyms:	1H-indol-5-ylmethanamine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1H-indol-5-ylmethanamine
Description:	5-(Aminomethyl)indole (CAS# 81881-74-5) is used in the synthesis of Vigabatrin (V253000) bioisosteres as inhibitors of γ-aminobutyric acid aminotransferase (GABA-AT) inhibitors.
Molecular Weight:	146.19
Molecular Formula:	C9H10N2
Canonical SMILES:	C1=CC2=C(C=CN2)C=C1CN
InChI:	InChI=1S/C9H10N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H,6,10H2
InChI Key:	UAYYSAPJTRVEQA-UHFFFAOYSA-N
Boiling Point:	335.6 °C at 760 mmHg
Density:	1.199 g/cm³
MDL:	MFCD01719220
LogP:	2.32690

Publication Number	Title	Priority Date
US-2021301175-A1	Polishing composition	20200330
WO-2021154902-A1	Collagen 1 translation inhibitors and methods of use thereof	20200130
CN-111150173-A	Shock attenuation sole and shock attenuation shoes	20200121
CN-111150196-A	Electronic device package containing dilatant component	20200121
CN-111166031-A	Dilatancy nature electronic product protective sheath/shell	20200121

PMID	Publication Date	Title	Journal
20695753	20110401	Synthesis and in vitro antifungal evaluation of 2-(2,4-difluorophenyl)-1-[(1H-indol-3-ylmethyl)methylamino]-3-(1H-1,2,4-triazol-1-yl)propan-2-ols	Journal of enzyme inhibition and medicinal chemistry

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Related Functional Groups

Amines and Anilines

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate
[15861-24-2]
Indole-5-carbonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.084398327
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	146.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2