AG002187

17583-40-3 | Benzonitrile, 2-(methylamino)-

AG002187

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CAS Number	17583-40-3
Catalog Number	AG002187(AGN-PC-0CXVNH)
Chemical Name	Benzonitrile, 2-(methylamino)-
IUPAC Name	2-(methylamino)benzonitrile
InChI	InChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,10H,1H3
InChI Key	SHIBMGQAICRHTE-UHFFFAOYSA-N
MDL Number	MFCD12962960
Molecular Formula	C8H8N2
Molecular Weight	132.1625
NSC Number	158449
SMILES	N#CC1=CC=CC=C1NC
Synonyms	2-(Methylamino)benzonitrile, 17583-40-3, Benzonitrile,2-(methylamino)-, Benzonitrile, 2-(methylamino)-, SHIBMGQAICRHTE-UHFFFAOYSA-N, NSC158449, ACMC-209eaj, N-methylanthranilonitrile, 2-Methylaminobenzonitrile, AC1L6ICR, AC1Q4RHZ, 2-Methylamino-benzonitrile, 2-(Methylamino);benzonitrile, 2-(Methylamino)benzonitrile #, SCHEMBL1343863, CTK4D6011, DTXSID50303472, ZINC1606001, 5293AJ, ANW-22793, MFCD11155692, AKOS000261156, MCULE-6410241350, NSC-158449, AJ-28135, CJ-05732, SC-99331, SY034561, TC-111538, MFCD11155692 (95%), B-8684, C8H8N2, AR-1C9459, CID292603, 17665-72-4,

Complexity	145
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	1
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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