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| CAS No.: | 85391-05-5 |
|---|---|
| Name: | H-MET-OIPR HCL |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H18ClNO2S |
| Molecular Weight: | 227.755 |
| Synonyms: | L-Methionine,1-methylethyl ester, hydrochloride (9CI);L-Methionine isopropyl esterhydrochloride;Methionine isopropyl ester hydrochloride; |
| EINECS: | 286-758-5 |
| Boiling Point: | 304.8 °C at 760 mmHg |
| Flash Point: | 138.1 °C |
| PSA: | 77.62000 |
| LogP: | 2.52070 |
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- Total:31 Page 1 of 1 1
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Specification
The L-Methionine,1-methylethyl ester, hydrochloride (1:1), with the CAS registry number 85391-05-5, is also known as L-Methionine isopropyl esterhydrochloride. It belongs to the product categories of Amino Acids and Derivatives; Amino Acids and Derivatives. Its EINECS registry number is 286-758-5. This chemical's molecular formula is C8H18ClNO2S and molecular weight is 227.75. What's more, its IUPAC name is Propan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate hydrochloride and systematic name is called 1-Methylethyl L-methioninate hydrochloride.
Physical properties about L-Methionine,1-methylethyl ester, hydrochloride (1:1) are: (1) ACD/LogP: 1.45; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 77.62 Å2; (7) Flash Point: 138.1 °C; (8) Enthalpy of Vaporization: 55.61 kJ/mol; (9) Boiling Point: 304.8 °C at 760 mmHg; (10) Vapour Pressure: 0.000637 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OC(C)C)[C@@H](N)CCSC
(2) InChI: InChI=1/C8H17NO2S.ClH/c1-6(2)11-8(10)7(9)4-5-12-3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1
(3) InChIKey: ONXXRAMAPIOLSS-FJXQXJEOBN