AG00BZC9

40896-74-0 | 3-Cyanobenzylamine hydrochloride

AG00BZC9

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CAS Number	40896-74-0
Catalog Number	AG00BZC9(AGN-PC-0RPEL2)
Chemical Name	3-Cyanobenzylamine hydrochloride
IUPAC Name	3-(aminomethyl)benzonitrile;hydrochloride
InChI	InChI=1S/C8H8N2.ClH/c9-5-7-2-1-3-8(4-7)6-10;/h1-4H,5,9H2;1H
InChI Key	BQWSRNKFRAPUAH-UHFFFAOYSA-N
MDL Number	MFCD06797955
Molecular Formula	C8H9ClN2
Molecular Weight	168.6235
SMILES	NCC1=CC=CC(C#N)=C1.[H]Cl
Synonyms	40896-74-0, 3-(aminomethyl)benzonitrile hydrochloride, 3-Cyanobenzylamine hydrochloride, 3-Aminomethyl-benzonitrile hydrochloride, CHEMBL13875, SCHEMBL2326110, 3-(aminomethyl)benzonitrile-HCl, CTK7E5227, DTXSID40634621, BQWSRNKFRAPUAH-UHFFFAOYSA-N, MFCD06797955, AKOS008013811, MCULE-5134118167, NE48065, FT-0653978, EN300-75659, 3-(aminomethyl)benzenecarbonitrile hydrochloride, A825338, I01-7147, 3-(Aminomethyl)benzonitrile--hydrogen chloride (1/1), Benzonitrile, 3-(aminomethyl)-, hydrochloride,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.045g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.624g/mol
Monoisotopic Mass	168.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number