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Basic Information
CAS No.: 71752-67-5
Name: N-NITROSO-UNDECYLUREA
Molecular Structure:
Molecular Structure of 71752-67-5 (N-NITROSO-UNDECYLUREA)
Formula: C12H25 N3 O2
Molecular Weight: 243.40
Synonyms: N-Nitroso-N-undecylurea
Density: 1.04g/cm3
Boiling Point: 338.9°C at 760 mmHg
Flash Point: 158.8°C
Safety: Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 76.75000
LogP: 4.09310
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Chemistry

Product Name: Nitrosoundecylurea (CAS NO.71752-67-5)


Molecular Formula: C12H25N3O2
Molecular Weight: 243.40g/mol
Mol File: 71752-67-5.mol
Boiling point: 338.9 °C at 760 mmHg
Flash Point: 158.8 °C
Density: 1.04 g/cm3
Surface Tension: 39.8 dyne/cm
Enthalpy of Vaporization: 58.23 kJ/mol 
Vapour Pressure: 9.53E-05 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Nitrosoundecylurea (CAS NO.71752-67-5):
  IUPAC Name: 1-nitroso-1-undecylurea
  Canonical SMILES: CCCCCCCCCCCN(C(=O)N)N=O
  InChI: InChI=1S/C12H25N3O2/c1-2-3-4-5-6-7-8-9-10-11-15(14-17)12(13)16/h2-11H2,1H3,(H2,13,16) 
  InChIKey: NAUXWGBUEVOAKV-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 µg/plate

     MUREAV    Mutation Research. 68 (1979),1.
2.    

mma-sat 100 µg/plate

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

Safety Profile

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

Specification

 Nitrosoundecylurea , its CAS NO. is 71752-67-5, the synonyms are Urea, N-nitroso-N-undecyl- ; CID135505 .