AG00FFBD

72115-06-1 | 4-Amino-2-methylbenzonitrile

AG00FFBD

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CAS Number	72115-06-1
Catalog Number	AG00FFBD(AGN-PC-0M90YJ)
Chemical Name	4-Amino-2-methylbenzonitrile
IUPAC Name	4-amino-2-methylbenzonitrile
InChI	InChI=1S/C8H8N2/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,10H2,1H3
InChI Key	RGHJWZADAWEIFE-UHFFFAOYSA-N
MDL Number	MFCD09260793
Molecular Formula	C8H8N2
Molecular Weight	132.1625
SMILES	CC1=C(C=CC(N)=C1)C#N
Synonyms	4-amino-2-methylbenzonitrile, 72115-06-1, 4-Cyano-3-methylaniline, Benzonitrile, 4-amino-2-methyl-, 4-Amino-o-tolunitrile, AC1P1XPJ, SCHEMBL568981, 4-amino-2-methyl-benzonitrile, CTK5D5554, KS-00000QLE, DTXSID00429095, RGHJWZADAWEIFE-UHFFFAOYSA-N, 4-amino-2-methylbenzenecarbonitrile, ZINC7023216, AB3033, ANW-67266, MFCD09260793, SBB085816, AKOS006330303, AM83242, 4-amino-2-methylbenzonitrile, AldrichCPR, AJ-57074, AK-89475, AS-20086, BC667367, CJ-13142, AB0061270, DB-024505, TC-156011, 4CH-012051, FT-0731430, ST24023274, Z5070, M-8480, AE-562/43286977, C8H8N2, ZINC07023216, CID8167081,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.069g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	132.166g/mol
Monoisotopic Mass	132.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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