4-[(dimethylamino)methyl]benzonitrile - CAS 35525-86-1

Catalog:	BB022666
Product Name:	4-[(dimethylamino)methyl]benzonitrile
CAS:	35525-86-1
Synonyms:	4-[(dimethylamino)methyl]benzonitrile; 4-[(dimethylamino)methyl]benzonitrile

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Computed Properties

IUPAC Name:	4-[(dimethylamino)methyl]benzonitrile
Description:	4-[(dimethylamino)methyl]benzonitrile (CAS# 35525-86-1) is a useful research chemical.
Molecular Weight:	160.22
Molecular Formula:	C10H12N2
Canonical SMILES:	CN(C)CC1=CC=C(C=C1)C#N
InChI:	InChI=1S/C10H12N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3
InChI Key:	QCSOEUMGZOKXPJ-UHFFFAOYSA-N
Boiling Point:	245.1 °C at 760 mmHg
Density:	1.02 g/cm³
LogP:	1.61988

Publication Number	Title	Priority Date
EP-3568390-A1	Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof	20170110
WO-2018132372-A1	Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof	20170110
US-2021161873-A1	Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof	20170110
WO-2017108723-A2	PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS	20151222
WO-2016144797-A1	Alpha 7 nicotinic acetylcholine receptor allosteric modulators, their derivatives and uses thereof	20150306

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Related Functional Groups

Nitrogen Compounds

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[2006278-12-0]
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[916792-07-9]
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[514801-07-1]
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[862649-86-3]
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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+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.100048391
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.100048391
Rotatable Bond Count:	2
Topological Polar Surface Area:	27 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5