Molecular Structure of (Butoxymethyl)nitrosomethylamine (CAS NO. 57629-90-0):
IUPAC Name: N-(Butoxymethyl)-1-nitrosomethanamine
Molecular Formula: C6H14N2O2
Molecular Weight: 146.187560 g/mol
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Canonical SMILES: CCCCOCNCN=O
InChI: InChI=1S/C6H14N2O2/c1-2-3-4-10-6-7-5-8-9/h7H,2-6H2,1H3
InChIKey: KRATYUZJRWZCSR-UHFFFAOYSA-N
Index of Refraction: 1.455
Molar Refractivity: 38.35 cm3
Molar Volume: 141.2 cm3
Surface Tension: 34.6 dyne/cm
Density: 1.03 g/cm3
Flash Point: 55 °C
Enthalpy of Vaporization: 40.38 kJ/mol
Boiling Point: 167.3 °C at 760 mmHg
Vapour Pressure: 1.71 mmHg at 25 °C
Water Solubility of (Butoxymethyl)nitrosomethylamine (CAS NO. 57629-90-0): 1.372e+005 mg/L at 25 °C
1. | mmo-sat 3 µmol/plate | MUREAV Mutation Research. 49 (1978),187. |
Mutation data reported. Many nitrosamines are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
(Butoxymethyl)nitrosomethylamine with cas registry number of 57629-90-0 is also called for N-(Butyloxy)methyl-N-methylnitrosamine ; N-Nitroso-N(butyloxy)methyl-N-methylamine ; Methylamine, (butoxymethyl)nitroso- .
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