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| CAS No.: | 17841-68-8 |
|---|---|
| Name: | Methyl 3-(aminomethyl)benzoate hydrochloride |
| Molecular Structure: | |
|
|
|
| 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: |
 Xn,  Xi
|
| 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 .gif){kind=small}
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% .