Molecule structure of Dioxypyramidon (CAS NO.519-65-3) :
IUPAC Name: 2-(N-[acetyl(methyl)amino]anilino)-N,N-dimethyl-2-oxoacetamide
Molecular Weight: 263.29238 g/mol
Molecular Formula: C13H17N3O3
Density: 1.219 g/cm3
Boiling Point: 360.6 °C at 760 mmHg
Flash Point: 146.3 °C
Index of Refraction: 1.574
Molar Refractivity: 71.26 cm3
Molar Volume: 215.8 cm3
Polarizability: 28.25*10-24 cm3
Surface Tension: 50.3 dyne/cm
Enthalpy of Vaporization: 60.63 kJ/mol
Vapour Pressure: 2.19E-05 mmHg at 25 °C
log P (octanol-water): -0.760
Water Solubility: 7.69E+04 mg/L
Atmospheric OH Rate Constant: 4.42E-11 cm3/molecule-sec
XLogP3-AA: 0.9
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 263.126991
MonoIsotopic Mass: 263.126991
Topological Polar Surface Area: 60.9
Heavy Atom Count: 19
Complexity: 362
Canonical SMILES: CC(=O)N(C)N(C1=CC=CC=C1)C(=O)C(=O)N(C)C
InChI: InChI=1S/C13H17N3O3/c1-10(17)15(4)16(11-8-6-5-7-9-11)13(19)12(18)14(2)3/h5-9H,1-4H3
InChIKey: IRTZMJWVZQYURE-UHFFFAOYSA-N
EINECS of Dioxypyramidon (CAS NO.519-65-3) : 208-274-5
1. | orl-mus LD50:1631 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 213 (1951),501. | ||
2. | scu-mus LD50:1066 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 213 (1951),501. | ||
3. | ivn-mus LD50:698 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 213 (1951),501. |
Moderately toxic by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
Dioxypyramidon (CAS NO.519-65-3) is also called 4-15-00-00173 (Beilstein Handbook Reference) ; BRN 1822610 ; Dioxoaminopyrine ; Acetic acid, (dimethylamino)oxo-, 2-acetyl-2-methyl-1-phenylhydrazide (9CI) ; N'-Acetyl-2-(dimethylamino)-N'-methyl-2-oxo-N-phenylacetohydrazide ; Semioxamazide, 1-acetyl-2-phenyl-1,5,5-trimethyl- .
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