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Basic Information
CAS No.: 77698-20-5
Name: N-nitroso(2-oxobutyl)(2-oxopropyl)amine
Molecular Structure:
Molecular Structure of 77698-20-5 (N-nitroso(2-oxobutyl)(2-oxopropyl)amine)
Formula: C7H12 N2 O3
Molecular Weight: 172.21
Synonyms: N-Nitroso(2-oxobutyl)(2-oxopropyl)amine
Density: 1.14g/cm3
Boiling Point: 326.2°C at 760 mmHg
Flash Point: 151.1°C
Safety: Poison by subcutaneous route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 66.81000
LogP: 0.53790
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Chemistry

IUPAC Name: N-(2-oxobutyl)-N-(2-oxopropyl)nitrous amide 
Synonyms of N-Nitroso(2-oxobutyl)(2-oxopropyl)-amine (CAS NO77698-20-5): N-Nitroso(2-oxobutyl)(2-oxopropyl)amine ; OBOB ; 2-Butanone, 1-(N-acetonyl-N-nitrosoamino)- ; 2-Butanone, 1-(nitroso(2-oxopropyl)amino)-
CAS NO: 77698-20-5
Molecular Formula of N-Nitroso(2-oxobutyl)(2-oxopropyl)-amine (CAS NO77698-20-5): C7H12N2O3
Molecular Weight: 172.1818
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 66.81 Å2
Index of Refraction: 1.495
Molar Refractivity: 43.99 cm3
Molar Volume: 150.8 cm3
Surface Tension: 40.5 dyne/cm
Density of N-Nitroso(2-oxobutyl)(2-oxopropyl)-amine (CAS NO77698-20-5): 1.14 g/cm3
Flash Point: 151.1 °C
Enthalpy of Vaporization: 56.84 kJ/mol
Boiling Point: 326.2 °C at 760 mmHg
Vapour Pressure: 0.000218 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 subcutaneous 174mg/kg (174mg/kg) SENSE ORGANS AND SPECIAL SENSES: CHANGE IN OLFACTORY NERVE: OLFACTION

GASTROINTESTINAL: OTHER CHANGES

LIVER: OTHER CHANGES		 Cancer Letters Vol. 12, Pg. 223, 1981.

Safety Profile

Poison by subcutaneous route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.