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56654-52-5

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Basic Information
CAS No.: 56654-52-5
Name: 1,3-dibutyl-1-nitrosourea
Article Data: 2
Molecular Structure:
Molecular Structure of 56654-52-5 (1,3-dibutyl-1-nitrosourea)
Formula: C9H19 N3 O2
Molecular Weight: 201.269
Synonyms: Urea,N,N'-dibutyl-N-nitroso- (9CI); 1,3-Dibutyl-1-nitrosourea;N,N'-Dibutyl-N-nitrosourea
Density: 1.05g/cm3
Boiling Point: 339.2°C (rough estimate)
Safety: Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 65.26000
LogP: 2.48400
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Chemistry

IUPAC Name: 1,3-dibutyl-1-nitrosourea 
Synonyms of N,N'-dibutyl-n-nitrosourea (CAS NO.56654-52-5): 1,3-Dibutyl-1-nitrosourea ;  BRN 2447689 ; Urea, 1,3-dibutyl-3-nitroso- 
CAS NO: 56654-52-5
Molecular Formula of N,N'-dibutyl-n-nitrosourea (CAS NO.56654-52-5): C9H19N3O2
Molecular Weight: 201.2661
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 52.98 Å2
Index of Refraction: 1.493
Molar Refractivity: 55.41 cm3
Molar Volume: 190.5 cm3
Surface Tension: 37.5 dyne/cm
Density of N,N'-dibutyl-n-nitrosourea (CAS NO.56654-52-5): 1.05 g/cm3
Molecular Structure:

Toxicity Data With Reference

1.    

cyt-ham:fbr 125 mg/L/22H

     MUREAV    Mutation Research. 48 (1977),337.
2.    

cyt-ham:lng 79 mg/L

     GMCRDC    Gann Monograph on Cancer Research. 27 (1981),95.

Safety Profile

Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.