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55557-00-1

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Basic Information
CAS No.: 55557-00-1
Name: N,N-dinitrosohomopiperazine
Molecular Structure:
Molecular Structure of 55557-00-1 (N,N-dinitrosohomopiperazine)
Formula: C5H10 N4 O2
Molecular Weight: 158.16
Synonyms: Dinitrosohomopiperazine
Density: 1.43g/cm3
Boiling Point: 403.1°C at 760 mmHg
Flash Point: 197.6°C
Safety: Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 65.34000
LogP: 0.23270
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Chemistry

Empirical Formula of N,N-Dinitrosohomopiperazine (CAS NO.55557-00-1): C5H10N4O2
Molecular Weight: 158.1585 
Index of Refraction: 1.622
Density: 1.43 g/cm3
Flash Point: 197.6 °C
Enthalpy of Vaporization: 62.88 kJ/mol
Boiling Point: 403.1 °C at 760 mmHg
Vapour Pressure: 2.44E-06 mmHg at 25 °C
Structure of N,N-Dinitrosohomopiperazine (CAS NO.55557-00-1):
                        
IUPAC Name: 1,4-Dinitroso-1,4-diazepane
Canonical SMILES: C1CN(CCN(C1)N=O)N=O
InChI: InChI=1S/C5H10N4O2/c10-6-8-2-1-3-9(7-11)5-4-8/h1-5H2
InChIKey: FUCMFBXWLUGVIZ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 µg/plate

     MUREAV    Mutation Research. 51 (1978),319.
2.    

mmo-esc 16,700 µmol/L

     CNREA8    Cancer Research. 36 (1976),4099.
3.    

msc-ham:ovr 5 µmol/L

     TCMUE9    Topics in Chemical Mutagenesis. 1 (1984),129.
4.    

msc-ham:ovr 5 µmol/L

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

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition N,N-Dinitrosohomopiperazine (CAS NO.55557-00-1) emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

Specification

 N,N-Dinitrosohomopiperazine , its cas register number is 55557-00-1. It also can be called BRN 0147155 ; 1H-1,4-Diazepine, hexahydro-1,4-dinitroso- ; and Dinitrosohomopiperazine .