AG00APIV

18469-52-8 | methyl 4-(aminomethyl)benzoate

AG00APIV

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CAS Number	18469-52-8
Catalog Number	AG00APIV(AGN-PC-0JT38F)
Chemical Name	methyl 4-(aminomethyl)benzoate
IUPAC Name	methyl 4-(aminomethyl)benzoate
InChI	InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3
InChI Key	AQBJGAUQEJFPKZ-UHFFFAOYSA-N
MDL Number	MFCD00468795
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	COC(=O)C1=CC=C(CN)C=C1
Synonyms	Methyl 4-(aminomethyl)benzoate, 18469-52-8, CHEMBL148986, Benzoic acid, 4-(aminomethyl)-, methyl ester, AQBJGAUQEJFPKZ-UHFFFAOYSA-N, 4-Aminomethyl-benzoic acid methyl ester, 4-(aminomethyl)benzoic acid methyl ester, Methyl 4-aminomethylbenzoate, 78B, Enamine_003267, AC1LC92H, AC1Q5Z7Q, methyl-4-aminomethylbenzoate, Oprea1_645037, methyl4-(aminomethyl)benzoate, SCHEMBL184868, methyl 4 (aminomethyl)benzoate, methyl-4-(aminomethyl)benzoate, AC1Q438R, Methyl 4-(aminomethyl)benzoate #, HMS1403E11, CS-B1334, ZINC7370593, ANW-58497, BDBM50408793, MFCD00468795, SBB026559, STK353483, 4-Aminomethylbenzoic acid methyl ester, AKOS000115442, CCG-244442, MCULE-3683625685, AJ-57146, AK-81511, BS-13624, SC-73478, 4-(Aminomethyl) benzoic acid methyl ester, Benzoic acid, 4-aminomethyl-, methyl ester, DB-065486, TC-147242, FT-0646967, ST45135261, X-4089, ethyl 4-(aminomethyl)benzoate, AR-1J5273, CID571728, Methyl 4-(aminomethyl)benzoate hydrochloride, 4-(Aminomethyl)benzoic Acid Methyl Ester Hydrochloride, 6232-11-7, 6259-08-1,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

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