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| CAS No.: | 74940-23-1 |
|---|---|
| Name: | 1-[butyl(nitroso)amino]butyl hydroperoxide |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H18N2O3 |
| Molecular Weight: | 190.243 |
| Synonyms: | Bhpbn;Hydroperoxy-N-nitrosodibutylamine; |
| Density: | 1.07g/cm3 |
| Boiling Point: | 341.5°Cat760mmHg |
| Flash Point: | 160.3°C |
| Safety: | Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES. |
| PSA: | 62.13000 |
| LogP: | 2.38570 |
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Chemistry
Product Name: Hydroperoxy-N-nitrosodibutylamine (CAS NO.74940-23-1)
Molecular Formula: C8H18N2O3
Molecular Weight: 190.28g/mol
Mol File: 74940-23-1.mol
Boiling point: 341.5 °C at 760 mmHg
Flash Point: 160.3 °C
Density: 1.07 g/cm3
Surface Tension: 36.3 dyne/cm
Enthalpy of Vaporization: 67.78 kJ/mol
Vapour Pressure: 5.24E-06 mmHg at 25°C
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Hydroperoxy-N-nitrosodibutylamine (CAS NO.74940-23-1):
IUPAC Name: N-butyl-N-(1-hydroperoxybutyl)nitrous amide
Canonical SMILES: CCCCN(C(CCC)OO)N=O
InChI: InChI=1S/C8H18N2O3/c1-3-5-7-10(9-11)8(13-12)6-4-2/h8,12H,3-7H2,1-2H3
InChIKey: RZEPVOAUYFUVAS-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | msc-ham:lng 50 µmol/L | GANNA2 Gann. Japanese Journal of Cancer Research. 73 (1982),522. |
Safety Profile
Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
Specification
Hydroperoxy-N-nitrosodibutylamine , its CAS NO. is 74940-23-1, the synonyms are BRN 4664893 ; Bhpbn ; CCRIS 108 ; Hydroperoxy-N-nitrosodibutylamine ; N-Butyl-N-(1-hydroperoxybutyl)nitrosamine ; N-Butyl-N-(alpha-hydroperoxybutyl)nitrosamine ; N-Nitroso-butyl-N-(1-hydroperoxybutyl)amine ; Hydroperoxide, 1-(butylnitrosoamino)butyl- .