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| CAS No.: | 54897-62-0 |
|---|---|
| Name: | N-ETHYL-N-BUTAN-4-OL-NITROSAMINE |
| Molecular Structure: | |
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| 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.