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24671-21-4

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Basic Information
CAS No.: 24671-21-4
Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[4-(dimethylamino)phenyl]butan-1-one
Molecular Structure:
Molecular Structure of 24671-21-4 (4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[4-(dimethylamino)phenyl]butan-1-one)
Formula: C23H29 Cl N2 O2
Molecular Weight: 400.948
Synonyms: Butyrophenone,4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-(dimethylamino)- (8CI); NSC170476
Density: 1.189g/cm3
Boiling Point: 569.5°C at 760 mmHg
Flash Point: 298.2°C
Safety: A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−.
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Chemistry

The Molecular Structure of  4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-(dimethylamino)butyrophenone (CAS NO.24671-21-4):

Molecular Formula: C23H29ClN2O2
Molecular Weight: 400.941560 g/mol
Index of Refraction: 1.6
Molar Refractivity: 115.33 cm3
Molar Volume: 337 cm3
Surface Tension: 49.7 dyne/cm
Density: 1.189 g/cm3
Flash Point: 298.2 °C
Enthalpy of Vaporization: 89.88 kJ/mol
Boiling Point: 569.5 °C at 760 mmHg
Vapour Pressure: 8.32E-14 mmHg at 25°C 
InChI
InChI=1/C23H29ClN2O2/c1-25(2)21-11-5-18(6-12-21)22(27)4-3-15-26-16-13-23(28,14-17-26)19-7-9-20(24)10-8-19/h5-12,28H,3-4,13-17H2,1-2H3
Smiles
c1(C2(CCN(CCCC(c3ccc(N(C)C)cc3)=O)CC2)O)ccc(Cl)cc1 
The IUPAC of 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-(dimethylamino)butyrophenone (CAS NO.24671-21-4) is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-dimethylaminophenyl)butan-1-one .

Toxicity Data With Reference

1.    

ivn-mus LD50:75 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#11083 .

Safety Profile

A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-(dimethylamino)butyrophenone (CAS NO.24671-21-4) is also called as 4-(Dimethylamino)phenyl-3-(4-(4-chlorophenyl)-4-hydroxypiperidino)-propyl ketone ; BRN 1507236 ; NSC 170476 ; Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-(dimethylamino)- .