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55556-85-9

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Basic Information
CAS No.: 55556-85-9
Name: N-nitroso-3-hydroxypiperidine
Article Data: 3
Molecular Structure:
Molecular Structure of 55556-85-9 (N-nitroso-3-hydroxypiperidine)
Formula: C5H10 N2 O2
Molecular Weight: 130.147
Synonyms: 1-Nitroso-3-piperidinol;3-Hydroxy-N-nitrosopiperidine; N-Nitroso-3-hydroxypiperidine;Nitroso-3-piperidinol
Density: 1.37g/cm3
Boiling Point: 309.3°C at 760 mmHg
Flash Point: 140.8°C
Safety: Questionable carcinogen with experimental tumorigenic data. Human 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: 52.90000
LogP: 0.06240
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Chemistry

Product Name: Nitroso-3-piperidinol (CAS NO.55556-85-9)


Molecular Formula: C5H10N2O2
Molecular Weight: 130.17g/mol
Mol File: 55556-85-9.mol
Boiling point: 309.3 °C at 760 mmHg
Flash Point: 140.8 °C
Density: 1.37 g/cm3
Surface Tension: 55.8 dyne/cm
Enthalpy of Vaporization: 63.78 kJ/mol
Vapour Pressure: 5.85E-05 mmHg at 25°C
XLogP3-AA: -0.5
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Nitroso-3-piperidinol (CAS NO.55556-85-9):
  IUPAC Name: 1-nitrosopiperidin-3-ol 
  Canonical SMILES: C1CC(CN(C1)N=O)O
  InChI: InChI=1S/C5H10N2O2/c8-5-2-1-3-7(4-5)6-9/h5,8H,1-4H2 
  InChIKey: QCVPQZJTIBYSOX-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 1 µmol/plate

     MUREAV    Mutation Research. 56 (1977),131.
2.    

sce-hmn:lym 10 mmol/L

     TCMUE9    Topics in Chemical Mutagenesis. 1 (1984),129.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

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

Specification

 Nitroso-3-piperidinol , its CAS NO. is 55556-85-9, the synonyms are 1-Nitroso-3-piperidinol ; 5-21-01-00050 (Beilstein Handbook Reference) ; BRN 1525252 ; N-Nitroso-3-hydroxypiperidine ; 3-Piperidinol, 1-nitroso- ; 3-Piperidinol, N-nitroso- .