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16118-36-8

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Basic Information
CAS No.: 16118-36-8
Name: H-DL-MET-OME HCL
Article Data: 9
Molecular Structure:
Molecular Structure of 16118-36-8 (H-DL-MET-OME HCL)
Formula: C6H13NO2S.ClH
Molecular Weight: 199.702
Synonyms: DL-Methionine,methyl ester,hydrochloride;Methionine,methyl ester,hydrochloride (9CI);Methionine,methyl ester,hydrochloride, DL- (8CI);Methyl 2-amino-4-methylsulfanylbutanoate hydrochloride;
EINECS: 240-285-0
Boiling Point: 277.6 °C at 760 mmHg
Flash Point: 121.7 °C
PSA: 77.62000
LogP: 1.74210
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Specification

The CAS registry number of Methionine,methylester,hydrochloride (1:1) is 16118-36-8. Its EINECS registry number is 240-285-0. The IUPAC name is methyl 2-amino-4-methylsulfanylbutanoate hydrochloride. In addition, the molecular formula is C6H13NO2S.ClH and the molecular weight is 199.70. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.57; (2)ACD/LogD (pH 7.4): 0.43; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.17; (5)ACD/KOC (pH 5.5): 1.67; (6)ACD/KOC (pH 7.4): 35.58; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 77.62 Å2; (11)Flash Point: 121.7 °C; (12)Enthalpy of Vaporization: 52.66 kJ/mol; (13)Boiling Point: 277.6 °C at 760 mmHg; (14)Vapour Pressure: 0.00345 mmHg at 25°C.

Uses of Methionine,methylester,hydrochloride (1:1): it can react with chloro-oxo-acetic acid methyl ester to get 2-(methoxycarbonecarbonyl-amino)-4-methylsulfanyl-butyric acid methyl ester. This reaction will need solvent toluene. The reaction time is 4 hours by heating. The yield is about 75%.

Methionine,methylester,hydrochloride (1:1) can react with chloro-oxo-acetic acid methyl ester to get 2-(methoxycarbonecarbonyl-amino)-4-methylsulfanyl-butyric acid methyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)C(N)CCSC
(2)InChI: InChI=1/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H
(3)InChIKey: MEVUPUNLVKELNV-UHFFFAOYAT