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110505-55-0

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Basic Information
CAS No.: 110505-55-0
Name: N-METHYL-D3-FORM-D1-AMIDE
Molecular Structure:
Molecular Structure of 110505-55-0 (N-METHYL-D3-FORM-D1-AMIDE)
Formula: C2HD4NO
Molecular Weight: 63.09
Synonyms: N-Methyl-d3-form-d1-amide;
Density: 0.932 g/cm3
Boiling Point: 182.499 °C at 760 mmHg
Flash Point: 81.526 °C
PSA: 29.10000
LogP: 0.38900
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Specification

The Formamide-d, N-methyl-d3-, with the CAS registry number of 110505-55-0, is also known as N-Methyl-d3-form-d1-amide. This chemical's molecular formula is C2HD4NO and molecular weight is 63.09. What's more, its systematic name is N-(2H3)Methyl(2H)formamide.

Physical properties about Formamide-d, N-methyl-d3- 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): 1.796; (5)ACD/KOC (pH 7.4): 1.796; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 29.1 Å2; (10)Index of Refraction: 1.364; (11)Molar Refractivity: 15.096 cm3; (12)Molar Volume: 67.684 cm3; (13)Surface Tension: 23.212 dyne/cm; (14)Density: 0.932 g/cm3; (15)Flash Point: 81.526 °C; (16)Enthalpy of Vaporization: 41.875 kJ/mol; (17)Boiling Point: 182.499 °C at 760 mmHg; (18)Vapour Pressure: 0.808 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C(=O)NC([2H])([2H])[2H]
(2) InChI: InChI=1/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)/i1D3,2D
(3) InChIKey: ATHHXGZTWNVVOU-MZCSYVLQEX