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50463-25-7

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Basic Information
CAS No.: 50463-25-7
Name: 2-METHYLPROPANE-1-D1
Article Data: 1
Molecular Structure:
Molecular Structure of 50463-25-7 (2-METHYLPROPANE-1-D1)
Formula: C4H9D
Molecular Weight: 59.1155
Synonyms: Propane,2-methyl-d- (6CI);
Density: 0.622 g/cm3
PSA: 0.00000
LogP: 1.66230
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    2-METHYLPROPANE-1-D1

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    Propane-1-d, 2-methyl-(7CI,9CI)

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Specification

The CAS registry number of Propane-1-d, 2-methyl-(7CI,9CI) is 50463-25-7. This chemical is also named as 2-Methylpropane-2-d. In addition, its molecular formula is C4H9D and molecular weight is 59.13. Its systematic name is called 2-methyl(2-2H)propane.

Physical properties about Propane-1-d, 2-methyl-(7CI,9CI) are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.02; (6)ACD/BCF (pH 7.4): 66.02; (7)ACD/KOC (pH 5.5): 698.43; (8)ACD/KOC (pH 7.4): 698.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.352; (13)Molar Refractivity: 20.53 cm3; (14)Molar Volume: 94.9 cm3; (15)Surface Tension: 15.5 dyne/cm; (16)Density: 0.622 g/cm3; (17)Enthalpy of Vaporization: 21.3 kJ/mol; (18)Vapour Pressure: 2580 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C(C)(C)C
(2)InChI: InChI=1/C4H10/c1-4(2)3/h4H,1-3H3/i4D
(3)InChIKey: NNPPMTNAJDCUHE-QYKNYGDIEI