Product Name

  • Name

    1-(4-fluorophenyl)-4-(1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)butan-2-one dihydrochloride

  • EINECS
  • CAS No. 27114-11-0
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C22H25 F N2 O . 2 Cl H
  • Boiling Point 510°Cat760mmHg
  • Molecular Weight 425.41
  • Flash Point 262.2°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of F−, NOx, and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 27114-11-0 (1-(4-fluorophenyl)-4-(1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)butan-2-one dihydrochloride)
  • Hazard Symbols
  • Synonyms 1-Butanone,1-(4-fluorophenyl)-4-(1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)-,dihydrochloride (9CI); Butyrophenone,4'-fluoro-4-(1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)-,dihydrochloride (8CI); 3H-Pyrazino[1,2-a]quinoline, 1-butanone deriv.
  • PSA
  • LogP

Compound 69/183 Chemical Properties

IUPAC  Name: 4-(1,2,4,4a,5,6-Hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)butan-2-one dihydrochloride    
Molecular Formula: C22H25FN2O•2ClH
Molecular Weight: 425.41
Freely Rotating Bonds: 5
Polar Surface Area: 23.55 Å2
Flash Point: 262.2 °C
Enthalpy of Vaporization: 78.07 kJ/mol
Boiling Point: 510 °C at 760 mmHg
Vapour Pressure: 1.61E-10 mmHg at 25°C 
The Cas Register Number of  Compound 69/183  is 27114-11-0.The chemical synonyms of  Compound 69/183 (CAS NO.27114-11-0) are 1H-Pyrazino(1,2-a)quinoline, hexahydro-3-(3-(p-fluorobenzoyl)propyl)-, dihydrochloride ; 3-(gamma-(p-Fluorobenzoyl)propyl)-2,3,4,4a,5,6-hexahydro-1(H)-pyrazino(1,2a)quinoline HCl ; 4'-Fluoro-4-(1,2,4,4a,5,6-hexahydro-3H-pyranzino(1,2-a)quinolin-3-yl)-butyrophenone 2HCl  and Centpyraquin .The molecular structure of  Compound 69/183 (CAS NO.27114-11-0) is.

Compound 69/183 Uses

 Compound 69/183 (CAS NO.27114-11-0) is used in organic synthesis .

Compound 69/183 Toxicity Data With Reference

1.    

orl-rat LD50:800 mg/kg

     DRFUD4    Drugs of the Future. 4 (1979),185.
2.    

ipr-rat LD50:161 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1641.
3.    

orl-mus LD50:1 g/kg

     DRFUD4    Drugs of the Future. 4 (1979),185.
4.    

ipr-mus LD50:300 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 13 (1970),516.
5.    

ivn-mus LD50:95 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1641.

Compound 69/183 Safety Profile

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of F−, NOx, and HCl.

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