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31591-08-9

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Basic Information
CAS No.: 31591-08-9
Name: N,N-DIMETHYL-D6-ACETAMIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 31591-08-9 (N,N-DIMETHYL-D6-ACETAMIDE)
Formula: C4H3D6NO
Molecular Weight: 93.0739
Synonyms: N,N-Dimethyl-D6-acetamide;
Density: 0.942 g/cm3
Boiling Point: 166.099 °C at 760 mmHg
Flash Point: 63.779 °C
PSA: 20.31000
LogP: 0.09450
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Specification

The Acetamide,N,N-di(methyl-d3)- (8CI,9CI) with CAS registry number of 31591-08-9 is also known as N,N-Dimethyl-D6-acetamide. Its systematic name is N,N-Bis[(2H3)methyl]acetamide. In addition, the formula is C4H3D6NO and the molecular weight is 93.16.

Physical properties about Acetamide,N,N-di(methyl-d3)- (8CI,9CI) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.345; (5)ACD/KOC (pH 7.4): 17.345; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 20.31Å2; (10)Index of Refraction: 1.407; (11)Molar Refractivity: 24.331 cm3; (12)Molar Volume: 98.936 cm3; (13)Polarizability: 9.646×10-24cm3; (14)Surface Tension: 25.372 dyne/cm; (15)Density: 0.942 g/cm3; (16)Flash Point: 63.779 °C; (17)Enthalpy of Vaporization: 40.258 kJ/mol; (18)Boiling Point: 166.099 °C at 760 mmHg; (19)Vapour Pressure: 1.814 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: [2H]C([2H])([2H])N(C(=O)C)C([2H])([2H])[2H]
2. InChI: InChI=1/C4H9NO/c1-4(6)5(2)3/h1-3H3/i2D3,3D3
3. InChIKey: FXHOOIRPVKKKFG-XERRXZQWEH
4. Std. InChI: InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i2D3,3D3
5. Std. InChIKey: FXHOOIRPVKKKFG-XERRXZQWSA-N