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CAS No.: | 35671-83-1 |
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Name: | AC-MET-OME |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H15NO3S |
Molecular Weight: | 205.278 |
Synonyms: | L-N-Acetylmethioninemethyl ester;N-Acetyl-L-methionine methyl ester;N-Acetylmethionine methylester; |
Density: | 1.113 g/cm3 |
Melting Point: | 96 °C |
Boiling Point: | 372.3 °C at 760 mmHg |
Flash Point: | 179 °C |
PSA: | 80.70000 |
LogP: | 0.80810 |
The L-Methionine,N-acetyl-, methyl ester, with the CAS registry number 35671-83-1, has the systematic name of methyl N-acetyl-L-methioninate. It belongs to the following product categories: Amino Acid Derivatives; Amino Acids. And the molecular formula of the chemical is C8H15NO3S. What's more, it should be stored at -15°C.
The characteristics of L-Methionine,N-acetyl-, methyl ester are as followings: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.71; (8)ACD/KOC (pH 7.4): 28.71; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 71.91 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 52.46 cm3; (15)Molar Volume: 184.3 cm3; (16)Polarizability: 20.79×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.113 g/cm3; (19)Flash Point: 179 °C; (20)Enthalpy of Vaporization: 61.94 kJ/mol; (21)Boiling Point: 372.3 °C at 760 mmHg; (22)Vapour Pressure: 9.71E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)OC)CCSC)C
(2)InChI: InChI=1/C8H15NO3S/c1-6(10)9-7(4-5-13-3)8(11)12-2/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m0/s1
(3)InChIKey: YVMKSJIMTATAAS-ZETCQYMHBR