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| CAS No.: | 62573-59-5 |
|---|---|
| Name: | NITROSO-BUX-TEN |
| Molecular Structure: | |
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| Formula: | C26H35N4O6- |
| Molecular Weight: | 499.5798 |
| Density: | g/cm3 |
| Boiling Point: | 318.8°Cat760mmHg |
| Flash Point: | 146.6°C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and CARBAMATES. |
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Chemistry
Product Name: Nitroso-bux-ten (CAS NO.62573-59-5)
Molecular Formula: C26H35N4O6
Molecular Weight: 499.5798g/mol
Mol File: 62573-59-5.mol
Boiling point: 318.8 °C at 760 mmHg
Flash Point: 146.6 °C
Enthalpy of Vaporization: 56.04 kJ/mol
Vapour Pressure: 0.000352 mmHg at 25°C
XLogP3-AA:
H-Bond Donor: 0
H-Bond Acceptor: 8
Structure Descriptors of Nitroso-bux-ten (CAS NO.62573-59-5):
IUPAC Name: N-nitroso-N-[(3-pentan-2-ylphenyl)methyl]carbamate ; (3-pentan-3-ylphenyl) N-methyl-N-nitrosocarbamate
Canonical SMILES: CCCC(C)C1=CC=CC(=C1)CN(C(=O)[O-])N=O.CCC(CC)C1=CC(=CC=C1)OC(=O)N(C)N=O
InChI: InChI=1S/2C13H18N2O3/c1-4-10(5-2)11-7-6-8-12(9-11)18-13(16)15(3)14-17;1-3-5-10(2)12-7-4-6-11(8-12)9-15(14-18)13(16)17/h6-10H,4-5H2,1-3H3;4,6-8,10H,3,5,9H2,1-2H3,(H,16,17)/p-1
InChIKey: XKVNAMFRLSJIGG-UHFFFAOYSA-M
Consensus Reports
EPA Genetic Toxicology Program. EPA Genetic Toxicology Program.
Safety Profile
Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and CARBAMATES.
Specification
Nitroso-bux-ten , its CAS NO. is 62573-59-5, the synonyms are Phenol, 3-(1-ethylpropyl)-, methylnitrosocarbamate, mixed with 3-(1-methylbutyl)phenylmethylnitrosocarbamate ; Nitrosobux-ten .