AG00CM46

366-84-7 | 4-AMINOMETHYL-BENZOIC ACID ETHYL ESTER

AG00CM46

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CAS Number	366-84-7
Catalog Number	AG00CM46(AGN-PC-0JR8MU)
Chemical Name	4-AMINOMETHYL-BENZOIC ACID ETHYL ESTER
IUPAC Name	ethyl 4-(aminomethyl)benzoate
InChI	InChI=1S/C10H13NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3
InChI Key	WCTQEHGXBKFLKG-UHFFFAOYSA-N
MDL Number	MFCD00748342
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(OCC)C1=CC=C(CN)C=C1
Synonyms	ethyl 4-(aminomethyl)benzoate, 366-84-7, 4-Aminomethyl-benzoic acid ethyl ester, Benzoic acid, 4-(aminomethyl)-, ethyl ester, ethyl 4-aminomethylbenzoate, CHEMBL357501, EN300-52320, Enamine_005917, ethyl-4-aminomethylbenzoate, AC1L90YZ, Oprea1_315504, Oprea1_365204, SCHEMBL687664, CTK1B6170, ZINC40134, DTXSID50331179, WCTQEHGXBKFLKG-UHFFFAOYSA-N, HMS1410M21, AC1Q3416, p-aminomethylbenzoic acid ethylester, ACM366847, BDBM50408795, MFCD00748342, AKOS008965845, BBV-201117, MCULE-8288302783, QC-3961, SB22864, 4-(Aminomethyl)benzoic acid ethyl ester, IDI1_008152, AK312480, BAS 00100625, DS-11838, CS-0022216, A57083, 4-aminomethyl-benzoic acid ethyl ester AldrichCPR, 4-aminomethyl-benzoic acid ethyl ester, AldrichCPR, I01-9061, Z56788169, CID436161,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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