Molecule structure of Diethylnitramine (CAS NO.7119-92-8):
IUPAC Name: N,N-Diethylnitramide
Molecular Weight: 118.1344 g/mol
Molecular Formula: C4H10N2O2
Density: 1.03 g/cm3
Boiling Point: 206.5 °C at 760 mmHg
Flash Point: 81 °C
Index of Refraction: 1.442
Molar Refractivity: 30.32 cm3
Molar Volume: 114.5 cm3
Polarizability: 12.02×10-24 cm3
Surface Tension: 33.4 dyne/cm
Enthalpy of Vaporization: 42.47 kJ/mol
Vapour Pressure: 0.34 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 118.074228
MonoIsotopic Mass: 118.074228
Topological Polar Surface Area: 46.4
Heavy Atom Count: 8
Complexity: 74.6
Canonical SMILES: CCN(CC)[N+](=O)[O-]
InChI: InChI=1S/C4H10N2O2/c1-3-5(4-2)6(7)8/h3-4H2,1-2H3
InChIKey of Diethylnitramine (CAS NO.7119-92-8): QAXAHXNXXIWQIZ-UHFFFAOYSA-N
1. | mmo-esc 20 µmol/plate | IAPUDO IARC Publications. 57 (1984),485. | ||
2. | hma-rat/sat 200 mg/kg | CNREA8 Cancer Research. 41 (1981),3205. | ||
3. | ipr-mus LD50:730 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 10 (1976),1504. |
Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Diethylnitramine (CAS NO.7119-92-8) is also named as 4-04-00-03403 (Beilstein Handbook Reference) ; BRN 1752163 ; CCRIS 5859 ; N-Ethyl-N-nitroethanamine ; N-Nitrodiethylamine ; NSC 36184 ; Diethylamine, N-nitro- ; Ethanamine, N-ethyl-N-nitro- (9CI) .
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