AG00C6MY

35525-86-1 | 4-[(DIMETHYLAMINO)METHYL]BENZONITRILE

AG00C6MY

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CAS Number	35525-86-1
Catalog Number	AG00C6MY(AGN-PC-0JWMP9)
Chemical Name	4-[(DIMETHYLAMINO)METHYL]BENZONITRILE
IUPAC Name	4-[(dimethylamino)methyl]benzonitrile
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
MDL Number	MFCD00029578
Molecular Formula	C10H12N2
Molecular Weight	160.2157
SMILES	N#CC1=CC=C(CN(C)C)C=C1
Synonyms	4-((dimethylamino)methyl)benzonitrile, 35525-86-1, 4-[(dimethylamino)methyl]benzonitrile, 4-(dimethylaminomethyl)benzonitrile, AC1LGSQI, ACMC-1CSLC, C4H9BrN2OS, AC1Q3WNT, AE-641/00191044, SCHEMBL156261, N,N-dimethyl-4-cyanobenzylamine, CTK4H4712, DTXSID00356574, N,N-dimethyl-4-cyano benzylamine, QCSOEUMGZOKXPJ-UHFFFAOYSA-N, C4F10, HMS1788P09, ZINC346211, KS-00000NW2, 1439AE, 1440AE, 4433AB, ANW-28227, MFCD00029578, AKOS000198249, DS-3657, MCULE-4681945143, Benzonitrile,4-[(dimethylamino)methyl]-, AJ-20042, AK107181, BP-20186, TC-116972, ST24042760, EN300-13446, K-8033, J-514213, Z54750053, Perfluoro-n-butane, 4-[ METHYL]BENZONITRILE, C10H12N2, CID826329, (2-Amino-4,5-dihydro-thiazol-5-yl)-methanolhydrobromide, 355-25-9, 35525-88-3,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.1g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.22g/mol
Monoisotopic Mass	160.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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