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816-57-9

Basic Information
CAS No.: 816-57-9
Name: propylnitrosourea
Article Data: 6
Molecular Structure:
Molecular Structure of 816-57-9 (propylnitrosourea)
Formula: C4H9 N3 O2
Molecular Weight: 131.134
Synonyms: Urea,1-nitroso-1-propyl- (7CI,8CI); 1-Nitroso-1-propylurea; 1-Propyl-1-nitrosourea;1-n-Propyl-1-nitrosourea; N-(n-Propyl)-N-nitrosourea; N-Nitroso-N-propylurea;N-Propyl-N-nitrosourea; NPU; NSC 46792
Density: 1.27g/cm3
Boiling Point: 200.3°C at 760 mmHg
Flash Point: 74.9°C
Safety: Suspected carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic data. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 75.76000
LogP: 1.15880
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Chemistry

IUPAC Name: 1-Nitroso-1-propylurea 
Synonyms of Propylnitrosourea (CAS NO.816-57-9): 1-Nitroso-1-propylurea ; 1-Propyl-1-nitrosourea ; BRN 2354437 ; CCRIS 543 ; N-Nitrosopropylurea ; N-Propylnitrosoharnstoff [German] ; N-Propylnitrosourea ; NPU ; NSC 46792 ; Nitroso-n-propylurea ; Nitrosopropylurea ; PNU ; Propylnitrosourea ; n-Propylnitrosoharnstoff ; n-Propylnitrosoharnstoff [German]
CAS NO: 816-57-9
Molecular Formula of Propylnitrosourea (CAS NO.816-57-9): C4H9N3O2
Molecular Weight: 131.1332
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 52.98Å2
Index of Refraction: 1.524
Molar Refractivity: 31.41 cm3
Molar Volume: 102.6 cm3
Surface Tension: 50.4 dyne/cm
Density of Propylnitrosourea (CAS NO.816-57-9): 1.27 g/cm3
Flash Point: 74.9 °C
Enthalpy of Vaporization: 43.65 kJ/mol
Boiling Point: 200.3 °C at 760 mmHg
Vapour Pressure: 0.327 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1375mg/kg (1375mg/kg)   Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. Vol. 22(10), Pg. 72, 1976.
rat LD50 oral 480mg/kg (480mg/kg)   Archiv fuer Geschwulstforschung. Vol. 40, Pg. 99, 1972.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Suspected carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic data. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.