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CAS No.: | 210830-32-3 |
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Name: | N-ALPHA-METHYL-D-VALINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C6H14ClNO2 |
Molecular Weight: | 167.63 |
Synonyms: | D-Valine,N-methyl-, hydrochloride (9CI);(R)-2-Amino-3,3-dimethylbutanoic acid hydrochloride;3-Methyl-D-valine hydrochloride (1:1); |
EINECS: | 200-582-5 |
Melting Point: | 171-173℃ |
Boiling Point: | 217.7 °C at 760 mmHg |
Flash Point: | 85.5 °C |
PSA: | 49.33000 |
LogP: | 1.50790 |
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The D-Valine, N-methyl-,hydrochloride (1:1), with the CAS registry number 210830-32-3, is also known as 3-Methyl-D-valine hydrochloride (1:1). This chemical's molecular formula is C6H14ClNO2 and molecular weight is 167.63. What's more, its systematic name is (1R)-1-carboxy-2,2-dimethylpropan-1-aminium chloride.
Physical properties of D-Valine, N-methyl-,hydrochloride (1:1) are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Flash Point: 85.5 °C; (8)Enthalpy of Vaporization: 50.03 kJ/mol; (9)Boiling Point: 217.7 °C at 760 mmHg; (10)Vapour Pressure: 0.0499 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(O)[C@H]([NH3+])C(C)(C)C
(2)InChI: InChI=1S/C6H13NO2.ClH/c1-6(2,3)4(7)5(8)9;/h4H,7H2,1-3H3,(H,8,9);1H/t4-;/m0./s1
(3)InChIKey: OLMBOHVAVKHHTK-WCCKRBBISA-N