3-(Aminomethyl)-1-benzylpyrrolidine - CAS 93138-61-5

Catalog:	BB040787
Product Name:	3-(Aminomethyl)-1-benzylpyrrolidine
CAS:	93138-61-5
Synonyms:	[1-(phenylmethyl)-3-pyrrolidinyl]methanamine; (1-benzylpyrrolidin-3-yl)methanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1-benzylpyrrolidin-3-yl)methanamine
Description:	3-(Aminomethyl)-1-benzylpyrrolidine (CAS# 93138-61-5) is a useful research chemical.
Molecular Weight:	190.28
Molecular Formula:	C12H18N2
Canonical SMILES:	C1CN(CC1CN)CC2=CC=CC=C2
InChI:	InChI=1S/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChI Key:	SUAKIVNGQVUKJA-UHFFFAOYSA-N
Boiling Point:	284.3 °C at 760 mmHg
Density:	1.04 g/cm³
LogP:	2.10540

Publication Number	Title	Priority Date
EP-3037412-A1	Indole amide compound as inhibitor of necrosis	20130822
US-2016194313-A1	Indole amide compound as inhibitor of necrosis	20130822
US-9868731-B2	Indole amide compound as inhibitor of necrosis	20130822
EP-3037412-B1	Indole amide compound as inhibitor of necrosis	20130822
WO-2013028445-A1	Fatty acid synthase inhibitors	20110819

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Related Functional Groups

Amines and Anilines

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[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.146998583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.146998583
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2