Molecule structure of N,N-Ethylene-N',N'-dimethylurea (CAS NO.3715-67-1):
IUPAC Name: N,N-Dimethylaziridine-1-carboxamide
Molecular Weight: 114.1457 g/mol
Molecular Formula: C5H10N2O
Density: 1.149 g/cm3
Boiling Point: 190.1 °C at 760 mmHg
Flash Point: 76.5 °C
Index of Refraction: 1.523
Molar Refractivity: 30.34 cm3
Molar Volume: 99.3 cm3
Polarizability: 12.03×10-24 cm3
Surface Tension: 45.8 dyne/cm
Enthalpy of Vaporization: 42.63 kJ/mol
Vapour Pressure: 0.55 mmHg at 25 °C
XLogP3-AA: -0.5
H-Bond Acceptor: 1
Exact Mass: 114.079313
MonoIsotopic Mass: 114.079313
Topological Polar Surface Area: 23.3
Heavy Atom Count: 8
Complexity: 107
Canonical SMILES: CN(C)C(=O)N1CC1
InChI: InChI=1S/C5H10N2O/c1-6(2)5(8)7-3-4-7/h3-4H2,1-2H3
InChIKey of N,N-Ethylene-N',N'-dimethylurea (CAS NO.3715-67-1): ZCOGQSHZVSZAHH-UHFFFAOYSA-N
1. | mmo-ssp 140 mmol/L | ADWMAX ADWMAX Abhandlungen der Deutschen Akademie der Wissenschaften zu Berlin, Klasse fuer Medizin .Berlin.: 1962,193. | ||
2. | ipr-rat LD50:200 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 21 (1963),581. |
Poison by intraperitoneal route. Mutation data reported. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
N,N-Ethylene-N',N'-dimethylurea (CAS NO.3715-67-1) is also named as 1-(Dimethylcarbamyl)aziridine ; 5-20-01-00045 (Beilstein Handbook Reference) ; BRN 0108784 ; N',N'-Dimethyl-N,N-ethyleneurea ; N,N-Dimethyl-1-aziridinecarboxamide ; N,N-Dimethylethyleneurea ; N-(Dimethylcarbamoyl)aziridine ; NSC 223107 ; 1-Aziridinecarboxamide, N,N-dimethyl- .
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