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Basic Information
CAS No.: 760-56-5
Name: 1-Allyl-1-nitrosourea
Article Data: 5
Molecular Structure:
Molecular Structure of 760-56-5 (1-Allyl-1-nitrosourea)
Formula: C4H7N3O2
Molecular Weight: 129.118
Synonyms: Urea,1-allyl-1-nitroso;N-Allyl-N-nitroso-harnstoff;1-Allyl-1-nitrosourea;1-nitroso-1-prop-2-en-1-ylurea;N-Nitroso-N-2-propenylurea;Urea,N-nitroso-N-2-propenyl;urea,n-nitroso-n-2-propen-1-yl;Allylnitrosourea;N-Allyl-N-nitrosourea;Nitrosoallylurea;
Density: 1.25g/cm3
Boiling Point: 202°Cat760mmHg
Flash Point: 76°C
Safety: Mutation data reported. Questionable carcinogen with experimental carcinogenic data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 75.76000
LogP: 0.93480
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Chemistry

Product Name: Nitrosoallylurea (CAS NO.760-56-5)


Molecular Formula: C4H7N3O2
Molecular Weight: 129.14g/mol
Mol File: 760-56-5.mol
Boiling point: 202 °C at 760 mmHg
Flash Point: 76 °C
Density: 1.25 g/cm3
Surface Tension: 50.4 dyne/cm
Enthalpy of Vaporization: 43.82 kJ/mol
Vapour Pressure: 0.299 mmHg at 25°C
XLogP3-AA: 0
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Nitrosoallylurea (CAS NO.760-56-5):
  IUPAC Name: 1-nitroso-1-prop-2-enylurea 
  Canonical SMILES: C=CCN(C(=O)N)N=O
  InChI: InChI=1S/C4H7N3O2/c1-2-3-7(6-9)4(5)8/h2H,1,3H2,(H2,5,8) 
  InChIKey: WBBDVRPSJSJSPC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 25 µg/plate

     TCMUE9    Topics in Chemical Mutagenesis. 1 (1984),13.
2.    

pic-esc 4 mg/L

     TCMUE9    Topics in Chemical Mutagenesis. 1 (1984),91.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

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

Specification

 Nitrosoallylurea , its CAS NO. is 760-56-5, the synonyms are 1-Allyl-1-nitrosourea  ;  4-04-00-03391 (Beilstein Handbook Reference) ; Allylnitrosourea ; BRN 1764887 ; CCRIS 3917 ; N-Allyl-N-nitrosourea ; N-Nitroso-N-2-propenylurea ; NSC 48389 ;  Urea, 1-allyl-1-nitroso- ; Urea, N-nitroso-N-2-propenyl- (9CI) .