AG00BJB5

3010-05-7 | 2-(Benzylamino)acetonitrile

AG00BJB5

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CAS Number	3010-05-7
Catalog Number	AG00BJB5(AGN-PC-0JOGKS)
Chemical Name	2-(Benzylamino)acetonitrile
IUPAC Name	2-(benzylamino)acetonitrile
InChI	InChI=1S/C9H10N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,7-8H2
InChI Key	COCONHAJXGRUOC-UHFFFAOYSA-N
MDL Number	MFCD00597541
Molecular Formula	C9H10N2
Molecular Weight	146.1891
NSC Number	50487
SMILES	N#CCNCC1=CC=CC=C1
Synonyms	2-(benzylamino)acetonitrile, 3010-05-7, Acetonitrile, 2-benzylamino-, Benzylaminoacetonitrile, 2-(benzylamino)-acetonitrile, COCONHAJXGRUOC-UHFFFAOYSA-N, Acetonitrile, [(phenylmethyl)amino]-, NSC50487, benzylamino-acetonitrile, AC1Q4SJA, AC1Q4SJD, (Benzylamino)acetonitrile #, N-Benzyl-N-cyanomethyl amine, SCHEMBL653443, AC1L690W, CTK4G4430, DTXSID40287353, KS-000024OR, ANW-65457, MFCD00597541, NSC-50487, ZINC19943362, AKOS000251983, AS06325, CM10278, DS-2494, MCULE-7075144013, NE50454, AJ-75769, AK102724, DB-012706, ST2404001, TC-154202, 4CH-017724, EN300-50878, Mon May 07 00:00:00 CST 3010, Z266079624, 2- ACETONITRILE, AR-1H6426, CID242212, 6965-08-8,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.193g/mol
Monoisotopic Mass	146.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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