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| CAS No.: | 88930-14-7 |
|---|---|
| Name: | H-D-Me-Val-OH |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H13NO2 |
| Molecular Weight: | 131.175 |
| Synonyms: | D-N-Methylvaline;N-Methyl-D-valine; |
| Density: | 0.995 g/cm3 |
| Boiling Point: | 206.9 °C at 760 mmHg |
| Flash Point: | 78.9 °C |
| PSA: | 49.33000 |
| LogP: | 0.70590 |
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- Total:18 Page 1 of 1 1
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Specification
The D-Valine, N-methyl-, with the CAS registry number 88930-14-7, is also known as N-Methyl-D-valine. This chemical's molecular formula is C6H13NO2 and molecular weight is 131.1729. Its systematic name is called (2R)-3-methyl-2-(methylammonio)butanoate.
Physical properties of D-Valine, N-methyl-: (1)ACD/LogP: 0.43; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.442; (10)Molar Refractivity: 34.92 cm3; (11)Molar Volume: 131.7 cm3; (12)Surface Tension: 32.8 dyne/cm; (13)Density: 0.995 g/cm3; (14)Flash Point: 78.9 °C; (15)Enthalpy of Vaporization: 48.84 kJ/mol; (16)Boiling Point: 206.9 °C at 760 mmHg; (17)Vapour Pressure: 0.0935 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@H]([NH2+]C)C(C)C
(2)InChI: InChI=1/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m1/s1
(3)InChIKey: AKCRVYNORCOYQT-RXMQYKEDBA