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| CAS No.: | 71799-98-9 |
|---|---|
| Name: | pyridine-2,6-diyldimethanediyl bis[methyl(nitroso)carbamate] |
| Molecular Structure: | |
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| Formula: | C11H13N5O6 |
| Molecular Weight: | 311.29 |
| Density: | 1.43g/cm3 |
| Boiling Point: | 413.8°Cat760mmHg |
| Flash Point: | 204.1°C |
| Safety: | Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS, CARBAMATES, and ESTERS. |
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Chemistry
Molecule structure of Pyridinol nitrosocarbamate (CAS NO.71799-98-9):
IUPAC Name: [6-[[Methyl(nitroso)carbamoyl]oxymethyl]pyridin-2-yl]methyl N-methyl-N-nitrosocarbamate
Molecular Weight: 311.25082 g/mol
Molecular Formula: C11H13N5O6
Density: 1.43 g/cm3
Boiling Point: 413.8 °C at 760 mmHg
Flash Point: 204.1 °C
Index of Refraction: 1.592
Molar Refractivity: 73.58 cm3
Molar Volume: 217.3 cm3
Polarizability: 29.16×10-24 cm3
Surface Tension: 57.2 dyne/cm
Enthalpy of Vaporization: 66.66 kJ/mol
Vapour Pressure: 4.67E-07 mmHg at 25 °C
XLogP3-AA: -0.3
H-Bond Acceptor: 9
Rotatable Bond Count: 6
Exact Mass: 311.086583
MonoIsotopic Mass: 311.086583
Topological Polar Surface Area: 131
Heavy Atom Count: 22
Complexity: 384
Canonical SMILES: CN(C(=O)OCC1=NC(=CC=C1)COC(=O)N(C)N=O)N=O
InChI: InChI=1S/C11H13N5O6/c1-15(13-19)10(17)21-6-8-4-3-5-9(12-8)7-22-11(18)16(2)14-20/h3-5H,6-7H2,1-2H3 InChIKey of Pyridinol nitrosocarbamate (CAS NO.71799-98-9): CXRJKRUZWBWUNZ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-sat 1 µg/plate | MGONAD Magyar Onkologia. Hungarian Onkology. 24 (1980),1. | ||
| 2. | slt-dmg-orl 640 µmol/kg | MUREAV Mutation Research. 144 (1985),177. |
Safety Profile
Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS, CARBAMATES, and ESTERS.
Specification
Pyridinol nitrosocarbamate (CAS NO.71799-98-9) is also named as Dinitrosoprodectin ; N,N'-Dinitrosopyridinol carbamate ; N-Dinitrosopyridinolcarbamate ; N-Dinitrozo-piridinolkarbamat (Hungarian) ; 2,6-Pyridinedimethanol, bis(methylnitrosocarbamate) (ester) (9CI) ; Carbamic acid, methylnitroso-, 2,6-pyridinediylbis(methylene) ester ; Carbamic acid, methylnitroso-, 2,6-pyridinediyldimethylene ester .