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54897-62-0

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Basic Information
CAS No.: 54897-62-0
Name: N-ETHYL-N-BUTAN-4-OL-NITROSAMINE
Molecular Structure:
Molecular Structure of 54897-62-0 (N-ETHYL-N-BUTAN-4-OL-NITROSAMINE)
Formula: C6H14 N2 O2
Molecular Weight: 146.189
Synonyms: N-Ethyl-N-(4-hydroxybutyl)nitrosamine;N-Ethyl-N-(4-hydroxybutyl)nitrosoamine
Density: 1.05
Boiling Point: 140 °C / 4mmHg
Flash Point: 131.4°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 NITROSAMINES.
PSA: 52.90000
LogP: 0.76220
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Chemistry

IUPAC Name: N-ethyl-N-(4-hydroxybutyl)nitrous amide 
Empirical Formula: C6H14N2O2
Molecular Weight: 146.1876g/mol 
Index of Refraction: 1.472
Molar Refractivity: 38.72 cm3
Molar Volume: 138.1 cm3
Polarizability: 15.35×10-24cm3
Surface Tension: 38.2 dyne/cm
Density: 1.05 g/cm3
Flash Point: 131.4 °C
Enthalpy of Vaporization: 61.87 kJ/mol
Boiling Point: 293.7 °C at 760 mmHg
Vapour Pressure: 0.000179 mmHg at 25°C
Canonical SMILES: CCN(CCCCO)N=O
InChI: InChI=1S/C6H14N2O2/c1-2-8(7-10)5-3-4-6-9/h9H,2-6H2,1H3
InChIKey: SAWPRHGGVOPPSR-UHFFFAOYSA-N
Structure of N-Ethyl-N-(4-hydroxybutyl)nitrosamine (CAS NO.54897-62-0):

Toxicity Data With Reference

1.    

mma-sat 35 µmol/plate

     CNREA8    Cancer Research. 37 (1977),399.
2.    

orl-mus TDLo:4900 mg/kg/14W-C:CAR

     GANNA2    Gann. Japanese Journal of Cancer Research. 72 (1981),647.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

RTECS: EL3870000
Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.

Specification

  N-Ethyl-N-(4-hydroxybutyl)nitrosamine , its cas register number is 54897-62-0. It also can be called BRN 2240539 ; 
 CCRIS 1023 ; EHBN ; 1-Butanol, 4-(ethylnitrosoamino)- . When heated to decomposition it emits toxic fumes of NOx.