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CAS No.: | 26287-62-7 |
---|---|
Name: | H-ALPHA-ME-DL-VAL-OH |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H13NO2 |
Molecular Weight: | 131.17 |
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; |
Density: | 1.038 g/cm3 |
Melting Point: | 293 °C (sublm) |
Boiling Point: | 217.7 °C at 760 mmHg |
Flash Point: | 85.5 °C |
PSA: | 63.32000 |
LogP: | 1.14470 |
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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