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CAS No.: | 32745-07-6 |
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Name: | N-NITROSODIMETHYL-1,1,1-D3-AMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C2H3D3N2O |
Molecular Weight: | 77.0586 |
Synonyms: | N-Nitrosodimethyl-1,1,1-d3-amine; |
Density: | 1.029 g/cm3 |
Boiling Point: | 151.999 °C at 760 mmHg |
Flash Point: | 36.125 °C |
PSA: | 32.67000 |
LogP: | 0.22940 |
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The Methan-d3-amine,N-methyl-N-nitroso- (9CI), with the CAS registry number of 32745-07-6, is also known as N-Nitrosodimethyl-1,1,1-d3-amine. Its molecular formula is C2H3D3N2O and molecular weight is 77.1. What's more, its systematic name is N-Methyl-N-nitroso(2H3)methanamine.
Physical properties about the Methan-d3-amine,N-methyl-N-nitroso- (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): 12.807; (5)ACD/KOC (pH 7.4): 12.807; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 32.67 Å2; (10)Index of Refraction: 1.427; (11)Molar Refractivity: 19.248 cm3; (12)Molar Volume: 74.956 cm3; (13)Surface Tension: 30.446 dyne/cm; (14)Density: 1.029 g/cm3; (15)Flash Point: 36.125 °C; (16)Enthalpy of Vaporization: 37.281 kJ/mol; (17)Boiling Point: 151.999 °C at 760 mmHg; (18)Vapour Pressure: 4.561 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])N(C)N=O
(2) InChI: InChI=1/C2H6N2O/c1-4(2)3-5/h1-2H3/i1D3
(3) InChIKey: UMFJAHHVKNCGLG-FIBGUPNXEF