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17841-68-8

Basic Information
CAS No.: 17841-68-8
Name: Methyl 3-(aminomethyl)benzoate hydrochloride
Molecular Structure:
Molecular Structure of 17841-68-8 (Methyl 3-(aminomethyl)benzoate hydrochloride)
Formula: C9H11NO2.HCl
Molecular Weight: 201.65
Synonyms: Benzoic acid,3-(aminomethyl)-, methyl ester, hydrochloride (9CI);m-Toluic acid, a-amino-, methyl ester,hydrochloride (8CI);3-Aminomethylbenzoic acid methyl ester hydrochloride;3-Methoxycarbonylbenzylamine hydrochloride;Methyl 3-aminomethylbenzoatehydrochloride;
Density: 1.121g/cm3
Melting Point: 177-179 °C
Boiling Point: 279.8 °C at 760 mmHg
Flash Point: 139 °C
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 21/22-36/37/38
Safety: 22-26-36/37/39
PSA: 52.32000
LogP: 2.43420
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Chemistry

Molecular Structure of Methyl 3-(aminomethyl)benzoate hydrochloride (17841-68-8):

Systematic Name: Methyl 3-(aminomethyl)benzoate hydrochloride
Molecular Formula: C9H12ClNO2
Molecular Weight: 201.6501
SMILES: Cl.O=C(OC)c1cc(ccc1)CN
InChI: InChI=1/C9H11NO2.ClH/c1-12-9(11)8-4-2-3-7(5-8)6-10;/h2-5H,6,10H2,1H3;1H
InChIKey: UOWRPTFJISFGPI-UHFFFAOYAW
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 4
Flash Point: 139 °C
Melting Point: 177-179 °C
Boiling Point: 279.8 °C at 760 mmHg
Enthalpy of Vaporization: 51.85 kJ/mol
Vapour Pressure: 0.00393 mmHg at 25 °C

Safety Profile

Safety Information of Methyl 3-(aminomethyl)benzoate hydrochloride (17841-68-8):
Hazard Codes: Xi,Xn
Hazard Note: Irritant
Risk Statements: 21/22-36/37/38
21/22: Harmful in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-26-36/37/39
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection

Specification

  Methyl 3-(aminomethyl)benzoate hydrochloride (17841-68-8) is pharmaceutical intermediate, also known as 3-Aminomethyl-benzoic acid methyl ester hydrochloride ; 3-Aminomethylbenzoicacidmethylester HCl ; 3-Aminomethyl-benzoic acid methyl ester hydrochloride , 97% .