AG00DIHQ

53369-76-9 | 2-[(DIMETHYLAMINO)METHYL]BENZONITRILE

AG00DIHQ

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CAS Number	53369-76-9
Catalog Number	AG00DIHQ(AGN-PC-0WA5W1)
Chemical Name	2-[(DIMETHYLAMINO)METHYL]BENZONITRILE
IUPAC Name	2-[(dimethylamino)methyl]benzonitrile
InChI	InChI=1S/C10H12N2/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,8H2,1-2H3
InChI Key	LCBWEMRQKBKAEN-UHFFFAOYSA-N
MDL Number	MFCD07324818
Molecular Formula	C10H12N2
Molecular Weight	160.2157
SMILES	N#CC1=CC=CC=C1CN(C)C
Synonyms	2-[(dimethylamino)methyl]benzonitrile, 53369-76-9, 2-(dimethylaminomethyl)benzonitrile, 2-((Dimethylamino)methyl)benzonitrile, AC1NLQX3, AC1Q3WML, SCHEMBL151809, 2-Dimethylaminomethylbenzonitrile, LCBWEMRQKBKAEN-UHFFFAOYSA-N, HMS1746K19, ZINC4206976, MFCD07324818, AKOS000198248, V6457, EN300-13765, C10H12N2, CID4962636,

Complexity	178
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	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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