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519-65-3

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Basic Information
CAS No.: 519-65-3
Name: N'-acetyl-2-(dimethylamino)-N'-methyl-2-oxo-N-phenylacetohydrazide
Article Data: 9
Molecular Structure:
Molecular Structure of 519-65-3 (N'-acetyl-2-(dimethylamino)-N'-methyl-2-oxo-N-phenylacetohydrazide)
Formula: C13H17 N3 O3
Molecular Weight: 263.296
Synonyms: Aceticacid, (dimethylamino)oxo-, 2-acetyl-2-methyl-1-phenylhydrazide (9CI); Semioxamazide,1-acetyl-1,5,5-trimethyl-2-phenyl- (6CI,7CI,8CI);1-Acetyl-1,5,5-trimethyl-2-phenylsemioxamazide; Dioxoaminopyrine;Dioxyaminopyrine; Dioxypyramidon; a-(Dimethylamidooxalyl)-b,b-methylacetylphenylhydrazine
Density: 1.219g/cm3
Melting Point: 105.5° (softens at 96°)
Boiling Point: 360.6°Cat760mmHg
Flash Point: 146.3°C
Safety: Moderately toxic by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 60.93000
LogP: 0.50110
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Moderately toxic by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 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- .