Valine, 2-methyl- supplier | CasNO.26287-62-7

Name
H-ALPHA-ME-DL-VAL-OH
EINECS
CAS No. 26287-62-7
Article Data13
CAS DataBase
Density 1.038 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 63.32000
LogP 1.14470

Valine, 2-methyl- Specification

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%.

Valine, 2-methyl- and carbonochloridic acid benzyl ester can be used to produce 2-benzyloxycarbonylamino-2,3-dimethyl-butyric acid benzyl ester

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

Product Name

H-ALPHA-ME-DL-VAL-OH

Valine, 2-methyl- Specification

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