-
Name
D-METHIONINE METHYL ESTER
- EINECS
- CAS No. 21691-49-6
- Article Data1
- CAS DataBase
- Density 1.094g/cm3
- Solubility
- Melting Point
- Formula C6H13NO2S
- Boiling Point 240 °C at 760 mmHg
- Molecular Weight 163.241
- Flash Point 99 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Methionine,methyl ester, D- (8CI);(R)-Methionine methyl ester;NSC 522628;O-Methyl-D-methionine;
- PSA 77.62000
- LogP 0.94010
D-Methionine methyl ester Specification
The D-Methionine, methylester, with CAS registry number 21691-49-6, has the systematic name of methyl methioninate. Besides this, it is also called Methyl 2-amino-4-(methylsulfanyl)butanoate. And the chemical formula of this chemical is C6H13NO2S.
Physical properties of D-Methionine, methylester: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 54.84 Å2; (7)Index of Refraction: 1.49; (8)Molar Refractivity: 43.11 cm3; (9)Molar Volume: 149 cm3; (10)Polarizability: 17.09×10-24cm3; (11)Surface Tension: 39 dyne/cm; (12)Density: 1.094 g/cm3; (13)Flash Point: 99 °C; (14)Enthalpy of Vaporization: 47.69 kJ/mol; (15)Boiling Point: 240 °C at 760 mmHg; (16)Vapour Pressure: 0.0388 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(N)CCSC
(2)InChI: InChI=1/C6H13NO2S/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3
(3)InChIKey: UIHPNZDZCOEZEN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H13NO2S/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3
(5)Std. InChIKey: UIHPNZDZCOEZEN-UHFFFAOYSA-N
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