CAS No.17829-05-9,N-NITROSODIMETHYL-D6-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17829-05-9
Name:	N-NITROSODIMETHYL-D6-AMINE
Article Data:	6

Formula:	C₂D₆N₂O
Molecular Weight:	80.0348
Synonyms:	Di(methyl-d3)amine,N-nitroso- (8CI);Dimethylnitrosamine-d6;N-Nitrosodimethylamine-d6;methan-d3-amine, N-(methyl-d3)-N-nitroso-;
Density:	1.06 g/cm³
Boiling Point:	152 °C at 760 mmHg
Flash Point:	36.1 °C
Hazard Symbols:	T+; N
Risk Codes:	45-25-26-48/25-51/53
Safety:	53-45-61
Transport Information:	UN 3382 6
PSA:	32.67000
LogP:	0.22940

Total:27 Page 1 of 1 1

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Specification

The Methan-d₃-amine,N-(methyl-d3)-N-nitroso- (9CI), with the CAS registry number 17829-05-9, is also called N-(²H₃)Methyl-N-nitroso(²H₃)methanamine. It is a kind of yellow oil, and belongs to the following profuct categories: Isotope Labeled Compounds; Metabolites; Nicotine Derivatives; Alphabetical Listings; N-O; Stable Isotopes. And the molecular formula of the chemical is C₂D₆N₂O.

The characteristics of Methan-d₃-amine,N-(methyl-d3)-N-nitroso- (9CI) are as followings: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.7; (8)ACD/KOC (pH 7.4): 10.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 19.24 cm³; (15)Molar Volume: 74.9 cm³; (16)Polarizability: 7.63×10^-24cm³; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 36.1 °C; (20)Enthalpy of Vaporization: 37.28 kJ/mol; (21)Boiling Point: 152 °C at 760 mmHg; (22)Vapour Pressure: 4.56 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H]
(2)InChI: InChI=1/C2H6N2O/c1-4(2)3-5/h1-2H3/i1D3,2D3
(3)InChIKey: UMFJAHHVKNCGLG-WFGJKAKNEV