Molecule structure of N,N-Ethylene-N'-methylurea (CAS NO.13279-24-8):
IUPAC Name: N-Methylaziridine-1-carboxamide
Molecular Weight: 100.11912 g/mol
Molecular Formula: C4H8N2O
Density: 1.186 g/cm3
Boiling Point: 289.8 °C at 760 mmHg
Flash Point: 129.1 °C
Index of Refraction: 1.518
Molar Refractivity: 25.59 cm3
Molar Volume: 84.3 cm3
Polarizability: 10.14×10-24 cm3
Surface Tension: 46.4 dyne/cm
Enthalpy of Vaporization: 52.91 kJ/mol
Vapour Pressure: 0.00215 mmHg at 25 °C
XLogP3-AA: -0.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 100.063663
MonoIsotopic Mass: 100.063663
Topological Polar Surface Area: 32.1
Heavy Atom Count: 7
Complexity: 87.7
Canonical SMILES: CNC(=O)N1CC1
InChI: InChI=1S/C4H8N2O/c1-5-4(7)6-2-3-6/h2-3H2,1H3,(H,5,7)
InChIKey of N,N-Ethylene-N'-methylurea (CAS NO.13279-24-8): AWDNCVJVQYZMTL-UHFFFAOYSA-N
1. | ipr-rat LD50:90 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 21 (1963),581. |
Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
N,N-Ethylene-N'-methylurea (CAS NO.13279-24-8) is also named as 4-20-00-00017 (Beilstein Handbook Reference) ; BRN 0108541 ; N-Methyl-1-aziridinecarboxamide ; N-Methylethyleneurea ; 1-Aziridinecarboxamide, N-methyl- .
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