AG003ISN

96783-68-5 | 3-Acetamidobenzylamine

AG003ISN

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CAS Number	96783-68-5
Catalog Number	AG003ISN(AGN-PC-0KKOAN)
Chemical Name	3-Acetamidobenzylamine
IUPAC Name	N-[3-(aminomethyl)phenyl]acetamide
InChI	InChI=1S/C9H12N2O/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3,(H,11,12)
InChI Key	JLFWORHZSACMOG-UHFFFAOYSA-N
MDL Number	MFCD05669728
Molecular Formula	C9H12N2O
Molecular Weight	164.2044
SMILES	NCC1=CC=CC(NC(C)=O)=C1
Synonyms	3-Acetamidobenzylamine, 96783-68-5, N-[3-(aminomethyl)phenyl]acetamide, N-(3-(aminomethyl)phenyl)acetamide, N-(3-AMINOMethylphenyl)ACETAMIDE, Acetamide, N-[3-(aminomethyl)phenyl]-, JLFWORHZSACMOG-UHFFFAOYSA-N, AC1MC3TN, AC1Q1KNR, ACMC-20m181, SCHEMBL2545099, CTK3G8447, DTXSID20375429, ZINC153951, ALBB-021670, CS-B1322, KS-000001LJ, 7206AJ, MFCD05669728, AKOS000128274, MCULE-5796312335, MS-1843, TRA-0195676, DA-00134, SY025408, AB0062621, FT-0713322, EN300-39963, Z-3606, MFCD05669728 (97+%), N-(3-aminomethyl-phenyl)-acetamide, AldrichCPR, acetamide, N-[3-(aminomethyl)phenyl]-, hydrochloride, C9H12N2O, CID2760946, N-[3-(aminomethyl)phenyl]acetamide Hydrochloride, 238428-27-8,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.095g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.208g/mol
Monoisotopic Mass	164.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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