AG002613

17841-68-8 | Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1)

AG002613

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CAS Number	17841-68-8
Catalog Number	AG002613(AGN-PC-0KL752)
Chemical Name	Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1)
IUPAC Name	methyl 3-(aminomethyl)benzoate;hydrochloride
InChI	InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-3-7(5-8)6-10;/h2-5H,6,10H2,1H3;1H
InChI Key	UOWRPTFJISFGPI-UHFFFAOYSA-N
MDL Number	MFCD04039173
Molecular Formula	C9H12ClNO2
Molecular Weight	201.6501
SMILES	Cl.NCC=1C=C(C(=O)OC)C=CC1
Synonyms	Methyl 3-(aminomethyl)benzoate Hydrochloride, 17841-68-8, 3-aminomethylbenzoic acid methyl ester hydrochloride, 3-aminomethyl-benzoic acid methyl ester hydrochloride, methyl 3-(amino methyl) benzoate hydrochloride, MFCD04039173, methyl 3-aminomethylbenzoate hydrochloride, METHYL 3-(AMINOMETHYL)BENZOATE HCL, Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride, methyl 3-(aminomethyl)benzoate, chloride, AC1MDRZI, PubChem11178, CTK8B9075, KS-00000BNO, Methyl 3-aminomethylbenzoate HCl, DTXSID60383447, UOWRPTFJISFGPI-UHFFFAOYSA-N, ACT03742, ANW-61953, Methyl 3-(aminomethyl)benzoate, HCl, SBB052371, 3-carbomethoxybenzylamine hydrochloride, AKOS005255089, ACN-038681, CM-1187, CM12426, CS-W001862, MCULE-1286780612, PS-8196, TRA0058512, 3-methoxycarbonyl-benzyl-ammonium chloride, AC-26482, AK-27793, AM807402, BC637864, methyl-3-aminomethylbenzoate hydrochloride, SC-50482, SY019269, AB0047977, TR-008181, 4CH-024092, FT-0656060, methyl 3-(aminomethyl)benzoate,hydrochloride, methyl-(3-aminomethyl)benzoate hydrochloride, ST50949527, Z2694, 3-(Aminomethyl)benzoic acid methyl ester HCl, methyl 3-(aminomethyl)-benzoate hydrochloride, K-5475, MFCD04039173 (95+%), 071M659, I01-7174, 3-(aminomethyl)benzoic acid methyl ester hydrochloride, Methyl 3-(aminomethyl)benzoate hydrochloride, AldrichCPR, 3-aminomethyl-benzoic acid methyl ester hydrochloride salt, Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1), C9H12ClNO2, Methyl3-(aminomethyl)benzoatehydrochloride, CID2794825, 3-(Aminomethyl)benzoic acid methyl ester hydrochloride, 97% - 1G 1g, 93071-65-9,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.056g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	201.65g/mol
Monoisotopic Mass	201.056g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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