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Name |
Valine, 2-methyl- |
EINECS | N/A |
CAS No. | 26287-62-7 | Density | 1.038 g/cm3 |
PSA | 63.32000 | LogP | 1.14470 |
Solubility | N/A | Melting Point |
293 °C (sublm) |
Formula | C6H13NO2 | Boiling Point | 217.7 °C at 760 mmHg |
Molecular Weight | 131.17 | Flash Point | 85.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butyricacid, 2-amino-2,3-dimethyl-, DL- (6CI);DL-Isovaline, 3-methyl-;Isovaline,3-methyl- (9CI);Valine, 2-methyl-, DL- (8CI);192: PN: WO2004005478 PAGE: 66claimed protein;2-Amino-2,3-dimethylbutanoic acid;2-Amino-2,3-dimethylbutyricacid;DL-2-Methylvaline;DL-a-Methylvaline;NSC 23276;a-Methyl-DL-valine; |
Article Data | 13 |
The Valine, 2-methyl- is an organic compound with the formula C6H13NO2. The systematic name of this chemical is 3-methylisovaline. With the CAS registry number 26287-62-7, it is also named as Methyl valine. The product's category is Glycinescaffold.
Physical properties about Valine, 2-methyl- are: (1)ACD/LogP: 0.55; (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: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.464; (11)Molar Refractivity: 34.87 cm3; (12)Molar Volume: 126.3 cm3; (13)Polarizability: 13.82×10-24cm3; (14)Surface Tension: 38.2 dyne/cm; (15)Density: 1.038 g/cm3; (16)Flash Point: 85.5 °C; (17)Enthalpy of Vaporization: 50.03 kJ/mol; (18)Boiling Point: 217.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0499 mmHg at 25°C.
Uses of Valine, 2-methyl-: it can be used to produce 2-benzyloxycarbonylamino-2,3-dimethyl-butyric acid benzyl ester at temperature of 50 °C. It will need reagents 4-(dimethylamino)pyridine, NEt3 and solvent dimethylsulfoxide with reaction time of 1.5 hours. The yield is about 41%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)(C)C(C)C
(2)InChI: InChI=1/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)
(3)InChIKey: GPYTYOMSQHBYTK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)
(5)Std. InChIKey: GPYTYOMSQHBYTK-UHFFFAOYSA-N