AG003SRM

63086-36-2 | N-Benzylaminoacetonitrile hydrochloride

AG003SRM

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CAS Number	63086-36-2
Catalog Number	AG003SRM(AGN-PC-0T75UY)
Chemical Name	N-Benzylaminoacetonitrile hydrochloride
IUPAC Name	2-(benzylamino)acetonitrile;hydrochloride
InChI	InChI=1S/C9H10N2.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5,11H,7-8H2;1H
InChI Key	OJUIRUMDLUMSTN-UHFFFAOYSA-N
MDL Number	MFCD02094033
Molecular Formula	C9H11ClN2
Molecular Weight	182.6500
SMILES	N#CCNCC1=CC=CC=C1.[H]Cl
Synonyms	63086-36-2, 2-(Benzylamino)acetonitrile hydrochloride, N-BENZYLAMINOACETONITRILE, N-BENZYLAMINOACETONITRILE HYDROCHLORIDE, MFCD02094033, OJUIRUMDLUMSTN-UHFFFAOYSA-N, AKOS022185458, 2-(benzylamino)acetonitrile;hydrochloride, 2-(Benzylamino);acetonitrile hydrochloride, I05-2843,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.651g/mol
Monoisotopic Mass	182.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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