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14246-21-0

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Basic Information
CAS No.: 14246-21-0
Name: DL-VALINE-2-D1
Article Data: 2
Molecular Structure:
Molecular Structure of 14246-21-0 (DL-VALINE-2-D1)
Formula: C5H10DNO2
Molecular Weight: 118.14
Synonyms: DL-Valine-2-d;Valine-2-d, DL- (8CI);DL-(a-2H)Valine;
Density: 1.073 g/cm3
Melting Point: 295 °C (subl.)(lit.)
Boiling Point: 213.642 °C at 760 mmHg
Flash Point: 83.008 °C
PSA: 63.32000
LogP: 0.75460
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Specification

This chemical is called Valine-2-d, and its CAS registry number is 14246-21-0. With the molecular formula of C5H10DNO2, its molecular weight is 118.15. Additionally, its product categories are Alphabetical Listings; Stable Isotopes; U-Z.

Other characteristics of the Valine-2-d can be summarised as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 30.23 cm3; (13)Molar Volume: 110.126 cm3; (14)Polarizability: 11.984×10-24cm3; (15)Surface Tension: 39.84 dyne/cm; (16)Density: 1.073 g/cm3; (17)Flash Point: 83.008 °C; (18)Enthalpy of Vaporization: 49.582 kJ/mol; (19)Boiling Point: 213.642 °C at 760 mmHg; (20)Vapour Pressure: 0.063 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]C(C(C)C)(C(=O)O)N
2.InChI: InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i4D
3.InChIKey: KZSNJWFQEVHDMF-QYKNYGDIEZ