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| CAS No.: | 27114-11-0 |
|---|---|
| Name: | 1-(4-fluorophenyl)-4-(1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)butan-2-one dihydrochloride |
| Molecular Structure: | |
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| Formula: | C22H25 F N2 O . 2 Cl H |
| Molecular Weight: | 425.41 |
| 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. |
| Density: | g/cm3 |
| Boiling Point: | 510°Cat760mmHg |
| Flash Point: | 262.2°C |
| 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. |
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Chemistry
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
.
Uses
Compound 69/183 (CAS NO.27114-11-0) is used in organic synthesis .
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. |
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.