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Name |
Methylnitrosocyanamide |
EINECS | N/A |
CAS No. | 33868-17-6 | Density | 1.16g/cm3 |
PSA | 56.46000 | LogP | 0.08068 |
Solubility | N/A | Melting Point |
N/A |
Formula | C2H3 N3 O | Boiling Point | 81°Cat760mmHg |
Molecular Weight | 85.0653 | Flash Point | 2.8°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cyanamide,methylnitroso- (8CI,9CI); Methylnitrosocyanamide; N-Nitroso(methyl)cyanamide |
Molecule structure of Methylnitrosocyanamide (CAS NO.33868-17-6):
IUPAC Name: Methyl(nitroso)cyanamide
Molecular Weight: 85.06472 g/mol
Molecular Formula: C2H3N3O
Density: 1.16 g/cm3
Boiling Point: 81 °C at 760 mmHg
Flash Point: 2.8 °C
Index of Refraction: 1.498
Molar Refractivity: 21.34 cm3
Molar Volume: 72.7 cm3
Polarizability: 8.46×10-24 cm3
Surface Tension: 47.1 dyne/cm
Enthalpy of Vaporization: 32.17 kJ/mol
Vapour Pressure: 83.3 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Acceptor: 4
Exact Mass: 85.027612
MonoIsotopic Mass: 85.027612
Topological Polar Surface Area: 56.5
Heavy Atom Count: 6
Complexity: 90.2
Canonical SMILES: CN(C#N)N=O
InChI: InChI=1S/C2H3N3O/c1-5(2-3)4-6/h1H3
InChIKey of Methylnitrosocyanamide (CAS NO.33868-17-6): DHOYZNRIPLSCPT-UHFFFAOYSA-N
1. | mmo-sat 2500 µmol/L | GMCRDC Gann Monograph on Cancer Research. 17 (1975),17. | ||
2. | mmo-esc 5 µmol/L | CNREA8 Cancer Research. 38 (1978),4630. | ||
3. | cyt-ham:emb 2 mmol/L/24H | MUREAV Mutation Research. 43 (1977),429. | ||
4. | orl-mus LD50:69 mg/kg | PJACAW Proceedings of the Japan Academy. 50 (1974),497. |
Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
Methylnitrosocyanamide (CAS NO.33868-17-6) is also named as BRN 2347248 ; CCRIS 1564 ; MNC ; Cyanamide, methylnitroso- .