CAS No.73913-64-1,H-D-VAL-OET HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73913-64-1
Name:	H-D-VAL-OET HCL
Article Data:	2

Formula:	C₇H₁₆ClNO₂
Molecular Weight:	181.663
Synonyms:	D-Valine,ethyl ester, hydrochloride (9CI);Ethyl D-valinate hydrochloride;
EINECS:	277-635-7
Melting Point:	120oC
Boiling Point:	212.5 °C at 760 mmHg
Flash Point:	82.3 °C
Appearance:	White crystalline powde
PSA:	52.32000
LogP:	2.03510

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Specification

The D-Valine, ethyl ester,hydrochloride (1:1), with CAS registry number 73913-64-1, belongs to the following product category: Amino hydrochloride. Its systematic name and its IUPAC name are the same, which is ethyl (2R)-2-amino-3-methyl-butanoate hydrochloride. This chemical should be stored at the temperature of 0°C.

Physical properties of D-Valine, ethyl ester,hydrochloride (1:1): (1)/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.14; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 52.32 Å²; (8)Enthalpy of Vaporization: 45.79 kJ/mol; (9)Vapour Pressure: 0.143 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CC(C)[C@@H](N)C(=O)OCC
(2)InChI: InChI=1/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1
(3)InChIKey: PQGVTLQEKCJXKF-FYZOBXCZBY
(4)Std. InChI: InChI=1S/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1
(5)Std. InChIKey: PQGVTLQEKCJXKF-FYZOBXCZSA-N