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18801-86-0

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Basic Information
CAS No.: 18801-86-0
Name: 3-METHOXYVALINE
Molecular Structure:
Molecular Structure of 18801-86-0 (3-METHOXYVALINE)
Formula: C6H13NO3
Molecular Weight: 147.174
Synonyms: Butyricacid, 2-amino-3-methoxy-3-methyl- (8CI);NSC 45844;
Density: 1.109 g/cm3
Melting Point: 250-260 °C (decomp)(Solv: ethanol (64-17-5))
Boiling Point: 249.7 °C at 760 mmHg
Flash Point: 104.8 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 72.55000
LogP: 0.52360
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Specification

The Valine, 3-methoxy-(6CI,7CI,9CI), with the CAS registry number 18801-86-0, is also known as 2-Amino-3-methoxy-3-methylbutanoic acid. This chemical's molecular formula is C6H13NO3 and molecular weight is 147.1723. Its systematic name is called 3-methoxyvaline. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Valine, 3-methoxy-(6CI,7CI,9CI): (1)ACD/LogP: 0.34; (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: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.464; (10)Molar Refractivity: 36.61 cm3; (11)Molar Volume: 132.6 cm3; (12)Surface Tension: 40 dyne/cm; (13)Density: 1.109 g/cm3; (14)Flash Point: 104.8 °C; (15)Enthalpy of Vaporization: 53.62 kJ/mol; (16)Boiling Point: 249.7 °C at 760 mmHg; (17)Vapour Pressure: 0.00716 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C(OC)(C)C
(2)InChI: InChI=1/C6H13NO3/c1-6(2,10-3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)
(3)InChIKey: RDBBJCUJCNMAAF-UHFFFAOYAP