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| CAS No.: | 16339-12-1 |
|---|---|
| Name: | N-NITROSO-N-METHYL-O-METHYL-HYDROXYLAMINE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C2H6 N2 O2 |
| Molecular Weight: | 90.0818 |
| Synonyms: | Methylamine,N-methoxy-N-nitroso- (8CI); N-Nitrosomethoxymethylamine;Nitrosomethoxymethylamine |
| Density: | 1.1g/cm3 |
| Boiling Point: | 45.9°Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by intravenous route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS. |
| PSA: | 41.90000 |
| LogP: | 0.16100 |
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Chemistry
Molecule structure of N,O-Dimethyl-N-nitrosohydroxylamine (CAS NO.16339-12-1):
IUPAC Name: N-Methoxy-N-methylnitrous amide
Molecular Weight: 90.08124 g/mol
Molecular Formula: C2H6N2O2
Density: 1.1 g/cm3
Boiling Point: 45.9 °C at 760 mmHg
Index of Refraction: 1.419
Molar Refractivity: 20.63 cm3
Molar Volume: 81.6 cm3
Polarizability: 8.18×10-24 cm3
Surface Tension: 32.7 dyne/cm
Enthalpy of Vaporization: 28.98 kJ/mol
Vapour Pressure: 342 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 90.042927
MonoIsotopic Mass: 90.042927
Topological Polar Surface Area: 41.9
Heavy Atom Count: 6
Complexity: 46.8
Canonical SMILES: CN(N=O)OC
InChI: InChI=1S/C2H6N2O2/c1-4(3-5)6-2/h1-2H3
InChIKey of N,O-Dimethyl-N-nitrosohydroxylamine (CAS NO.16339-12-1): JIITVWJHOYPEFL-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-sat 1 µg/plate | MUREAV Mutation Research. 51 (1978),319. | ||
| 2. | mma-sat 1 µg/plate | MUREAV Mutation Research. 51 (1978),319. | ||
| 3. | mmo-omi 1 pph/72H-C | SOGEBZ Soviet Genetics. Translation of GNKAA5. 10 (1974),522. | ||
| 4. | ivn-rat LD50:130 mg/kg | ZEKBAI Zeitschrift fuer Krebsforschung. 69 (1967),103. |
Safety Profile
Poison by intravenous route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
Specification
N,O-Dimethyl-N-nitrosohydroxylamineof (CAS NO.16339-12-1) is also named as Nitrosomethoxymethylamine ; 3-04-00-01716 (Beilstein Handbook Reference) ; BRN 1744942 ; N-Methoxy-N-nitrosomethylamine ; N-Nitroso-N-methyl-o-methyl-hydroxylamine ; N-Nitroso-N-methyl-o-methylhydroxylamin ; N-Nitroso-N-methyl-o-methylhydroxylamin [German] ; N-Nitrosomethoxymethylamine ; N-Nitrosomethylmethoxyamine ; Methylamine, N-methoxy-N-nitroso- .