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CAS No.: | 23032-21-5 |
---|---|
Name: | D-LEUCINE METHYL ESTER HYDROCHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H15NO2 |
Molecular Weight: | 145.202 |
Synonyms: | Leucine,methyl ester, D- (8CI);(R)-Leucine methyl ester;O-Methyl-D-leucine; |
Density: | 0.955 g/cm3 |
Boiling Point: | 169.203 °C at 760 mmHg |
Flash Point: | 42.685 °C |
PSA: | 52.32000 |
LogP: | 2.03510 |
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The 2-Butenedioicacid, 1,4-dimethyl ester, with the CAS registry number 23055-10-9, is also known as D-leucine, methyl ester. It belongs to the product category of Amino Acids and Derivatives. This chemical's molecular formula is C7H15NO2 and molecular weight is 145.1995. Its systematic name is called methyl D-leucinate.
Physical properties of 2-Butenedioicacid, 1,4-dimethyl ester: (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): -1.44; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 16.74; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.435; (12)Molar Refractivity: 39.7 cm3; (13)Molar Volume: 151.9 cm3; (14)Surface Tension: 31.1 dyne/cm; (15)Density: 0.955 g/cm3; (16)Flash Point: 42.7 °C; (17)Enthalpy of Vaporization: 40.56 kJ/mol; (18)Boiling Point: 169.2 °C at 760 mmHg; (19)Vapour Pressure: 1.56 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@H](N)CC(C)C
(2)InChI: InChI=1/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m1/s1
(3)InChIKey: QVDXUKJJGUSGLS-ZCFIWIBFBI