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4-[(Dimethylamino)methyl]phenylacetonitrile

4-[(Dimethylamino)methyl]phenylacetonitrile - CAS 132312-25-5

Catalog:	BB007575
Product Name:	4-[(Dimethylamino)methyl]phenylacetonitrile
CAS:	132312-25-5
Synonyms:	2-[4-[(dimethylamino)methyl]phenyl]acetonitrile; 2-[4-[(dimethylamino)methyl]phenyl]acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-[4-[(dimethylamino)methyl]phenyl]acetonitrile
Description:	4-[(Dimethylamino)methyl]phenylacetonitrile (CAS# 132312-25-5 ) is a useful research chemical.
Molecular Weight:	174.24
Molecular Formula:	C11H14N2
Canonical SMILES:	CN(C)CC1=CC=C(C=C1)CC#N
InChI:	InChI=1S/C11H14N2/c1-13(2)9-11-5-3-10(4-6-11)7-8-12/h3-6H,7,9H2,1-2H3
InChI Key:	UJOGUFXITRCRKF-UHFFFAOYSA-N
LogP:	1.81428

Publication Number	Title	Priority Date
CA-2552907-A1	Beta-ketoamide compounds having an mch-antagonistic effect and medicaments containing said compounds	20040306
DE-102004010893-A1	New Î²-ketoamide compounds having MCH antagonist activity and medicaments containing these compounds	20040306
EP-1730130-A1	Beta-ketoamide compounds having an mch-antagonistic effect and medicaments containing said compounds	20040306
JP-2007527424-A	Î'-ketoamide compound having MCH antagonistic action and medicament containing the same	20040306
TW-200540142-A	New Î²-ketoamide compounds with MCH receptor antagonistic activity and medicaments comprising them	20040306

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Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.115698455
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.115698455
Rotatable Bond Count:	3
Topological Polar Surface Area:	27
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4