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3781-28-0

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Basic Information
CAS No.: 3781-28-0
Name: Propyperone
Molecular Structure:
Molecular Structure of 3781-28-0 (Propyperone)
Formula: C23H33 F N2 O2
Molecular Weight: 388.526
Synonyms: Butyrophenone,4'-fluoro-4-(4-piperidino-4-propionylpiperidino)- (7CI,8CI); 4'-Fluoro-4-(4-piperidino-4-propionylpiperidino)butyrophenone;Floropipeton; Propyperone
Density: 1.112g/cm3
Boiling Point: 515.6°Cat760mmHg
Flash Point: 265.7°C
Safety: Poison by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F− and NOx.
PSA: 40.62000
LogP: 3.96400
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Chemistry

Empirical Formula of Propyperone (CAS NO.3781-28-0): C23H33FN2O2
Molecular Weight: 388.5187 
Index of Refraction: 1.534
Density: 1.112 g/cm3
Flash Point: 265.7 °C
Enthalpy of Vaporization: 78.76 kJ/mol
Boiling Point: 515.6 °C at 760 mmHg
Vapour Pressure: 9.66E-11 mmHg at 25 °C
Structure of Propyperone (CAS NO.3781-28-0):
                  
IUPAC Name: 1-(4-Fluorophenyl)-4-(4-piperidin-1-yl-4-propanoylpiperidin-1-yl)butan-1-one
Canonical SMILES: CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)N3CCCCC3
InChI: InChI=1S/C23H33FN2O2/c1-2-22(28)23(26-15-4-3-5-16-26)12-17-25(18-13-23)14-6-7-21(27)19-8-10-20(24)11-9-19/h8-11H,2-7,12-18H2,1H3
InChIKey: JMIUUTJADPMZTQ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:780 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,192.
2.    

scu-rat LD50:350 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,192.
3.    

orl-mus LD50:275 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,192.
4.    

scu-mus LD50:420 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,192.

Safety Profile

Poison by ingestion and subcutaneous routes. When heated to decomposition Propyperone (CAS NO.3781-28-0) emits very toxic fumes of F− and NOx.

Specification

 Propyperone , its cas register number is 3781-28-0. It also can be called 1-Butanone, 1-(4-fluorophenyl)-4-(4'-(1-oxopropyl)(1,4'-bipiperidin)-1'-yl)- (9CI) ; Propyperonum ; Propiperona ; and 4'-Fluoro-4-(4-piperidino-4-propionylpiperidino)butyrophenone .