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13147-25-6

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Basic Information
CAS No.: 13147-25-6
Name: N-ETHYL-N-(2-HYDROXYETHYL)NITROSAMINE
Molecular Structure:
Molecular Structure of 13147-25-6 (N-ETHYL-N-(2-HYDROXYETHYL)NITROSAMINE)
Formula: C4H10 N2 O2
Molecular Weight: 118.136
Synonyms: Ethanol,2-(ethylnitrosamino)- (7CI,8CI); N-(2-Hydroxyethyl)-N-ethylnitrosamine;N-Ethyl-N-(2-hydroxyethyl)nitrosamine; N-Nitroso-2-(ethylamino)ethanol;N-Nitroso-N-ethyl-2-hydroxyethylamine; N-Nitrosoethyl-2-hydroxyethylamine
Density: 1.11g/cm3
Boiling Point: 273.4°Cat760mmHg
Flash Point: 119.2°C
Safety: Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. Explodes when heated to 170°C. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
PSA: 52.90000
LogP: -0.01800
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Chemistry

IUPAC Name: N-ethyl-N-(2-hydroxyethyl)nitrous amide 
Empirical Formula: C4H10N2O2
Molecular Weight: 118.1344g/mol 
Index of Refraction: 1.469
Molar Refractivity: 29.5 cm3
Molar Volume: 105.7 cm3
Polarizability: 11.69×10-24cm3
Surface Tension: 40.2 dyne/cm
Density: 1.11 g/cm3
Flash Point: 119.2 °C
Enthalpy of Vaporization: 59.41 kJ/mol
Boiling Point: 273.4 °C at 760 mmHg
Vapour Pressure: 0.000735 mmHg at 25°C 
storage temp: Refrigerator
Canonical SMILES: CCN(CCO)N=O
InChI: InChI=1S/C4H10N2O2/c1-2-6(5-8)3-4-7/h7H,2-4H2,1H3
InChIKey: HNQBPUIXFDQDRJ-UHFFFAOYSA-N
Structure of Ethyl-2-hydroxyethylnitrosamine (CAS NO.13147-25-6):

Toxicity Data With Reference

1.    

mma-sat 20 µg/plate

     MUREAV    Mutation Research. 66 (1979),1.
2.    

orl-rat TD:840 mg/kg/2W-C:NEO

     JJIND8    JNCI, Journal of the National Cancer Institute. 72 (1984),483.

Consensus Reports

IARC Cancer Review: Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 17 , 1978,p. 83.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

Safety Profile

RTECS: KL0350000
Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. Explodes when heated to 170°C. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.

Specification

  Ethyl-2-hydroxyethylnitrosamine , its cas register number is 13147-25-6. It also can be called 2-(Ethylnitrosamino)ethanol ;
 Aethyl-aethanol-nitrosoamin ; BRN 2073939 ; CCRIS 1024 ; EENA ; Ethyl(hydroxyethyl)nitrosamine ;
 Ethylethanolnitrosamine ; N-Ethyl-N-hydroxyethylnitrosamine ; N-Nitroso-N-ethyl-N-(2-hydroxyethyl)amine ; N-Nitrosoaethylaethanolamin ; N-Nitrosoethyl-2-hydroxyethylamine ; N-Nitrosoethylethanolamine .