AG00FAQ2

66522-66-5 | 4-ACETYLBENZYLAMINE HYDROCHLORIDE

AG00FAQ2

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CAS Number	66522-66-5
Catalog Number	AG00FAQ2(AGN-PC-0NIYCM)
Chemical Name	4-ACETYLBENZYLAMINE HYDROCHLORIDE
IUPAC Name	1-[4-(aminomethyl)phenyl]ethanone;hydrochloride
InChI	InChI=1S/C9H11NO.ClH/c1-7(11)9-4-2-8(6-10)3-5-9;/h2-5H,6,10H2,1H3;1H
InChI Key	MQLKRLRINSCOMZ-UHFFFAOYSA-N
MDL Number	MFCD06797813
Molecular Formula	C9H12ClNO
Molecular Weight	185.6507
SMILES	CC(C1=CC=C(CN)C=C1)=O.[H]Cl
Synonyms	1-(4-(Aminomethyl)phenyl)ethanone hydrochloride, 66522-66-5, 4-acetylbenzylamine hydrochloride, AK158889, 4-Acetylbenzylamine HCl, SCHEMBL7398643, KS-00000SHK, MQLKRLRINSCOMZ-UHFFFAOYSA-N, MFCD06797813, AKOS024259040, DS-9412, SC-99637, AX8327755, ST2403170, 1-[4-(aminomethyl)phenyl]ethanone;hydrochloride, 1-[4-(aminomethyl)phenyl]ethanone hydrochloride,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.651g/mol
Monoisotopic Mass	185.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number