3-(1-Piperidyl)benzylamine - CAS 175696-71-6

Catalog:	BB013157
Product Name:	3-(1-Piperidyl)benzylamine
CAS:	175696-71-6
Synonyms:	[3-(1-piperidinyl)phenyl]methanamine; (3-piperidin-1-ylphenyl)methanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-piperidin-1-ylphenyl)methanamine
Description:	3-(1-Piperidyl)benzylamine (CAS# 175696-71-6) is a useful research chemical.
Molecular Weight:	190.28
Molecular Formula:	C12H18N2
Canonical SMILES:	C1CCN(CC1)C2=CC=CC(=C2)CN
InChI:	InChI=1S/C12H18N2/c13-10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
InChI Key:	BISSHLVDQOLHNQ-UHFFFAOYSA-N
Boiling Point:	343.8 °C at 760 mmHg
Density:	1.047 g/cm³
Appearance:	Light yellow liquid
LogP:	2.90090

Publication Number	Title	Priority Date
US-2016039790-A1	1,2,6-substituted benzimidazoles as flap modulators	20130315
US-9695149-B2	1,2,6-substituted benzimidazoles as flap modulators	20130315
WO-2014151380-A1	1,2,6-substituted benzimidazoles as flap modulators	20130315
US-2015210715-A1	5,5-heteroaromatic anti-infective compounds	20120718
US-9605002-B2	5,5-heteroaromatic anti-infective compounds	20120718

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, 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:	2
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7