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4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone

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Name

4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone

EINECS N/A
CAS No. 25174-65-6 Density 1.193g/cm3
PSA 23.55000 LogP 5.08220
Solubility N/A Melting Point N/A
Formula C26H27 Cl N2 O Boiling Point 582.9°Cat760mmHg
Molecular Weight 419.00 Flash Point 306.3°C
Transport Information N/A Appearance N/A
Safety Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl. Risk Codes N/A
Molecular Structure Molecular Structure of 25174-65-6 (1-(4-Benzyl-1-piperazinyl)-3-(p-chlorophenyl)-3-phenyl-1-propanone) Hazard Symbols N/A
Synonyms

Piperazine,1-benzyl-4-(p-chloro-b-phenylhydrocinnamoyl)- (8CI)

 

4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone Chemical Properties

Product Name: 4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone (CAS NO.25174-65-6)


Molecular Formula: C26H27ClN2O
Molecular Weight: 419.00g/mol
Mol File: 25174-65-6.mol
Boiling point: 582.9 °C at 760 mmHg
Flash Point: 306.3 °C
Density: 1.193 g/cm3
Surface Tension: 50.3 dyne/cm
Enthalpy of Vaporization: 87.13 kJ/mol
Vapour Pressure: 1.42E-13 mmHg at 25°C
XLogP3-AA: 5
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone (CAS NO.25174-65-6):
  IUPAC Name: 1-(4-Benzylpiperazin-1-yl)-3-(4-chlorophenyl)-3-phenylpropan-1-one
  Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C26H27ClN2O/c27-24-13-11-23(12-14-24)25(22-9-5-2-6-10-22)19-26(30)29-17-15-28(16-18-29)20-21-7-3-1-4-8-21/h1-14,25H,15-20H2 
  InChIKey: ORMJQSPHTHSBLF-UHFFFAOYSA-N

4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.

4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl.

4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone Specification

 4-Benzylpiperazinyl beta-(p-chlorophenyl)phenethyl ketone , its CAS NO. is 25174-65-6, the synonyms are 1-Benzyl-4-(3-(p-chlorophenyl)-3-phenylpropionyl)piperazine ; Piperazine, 1-benzyl-4-(3-(p-chlorophenyl)-3-phenylpropionyl)- ; Piperazine, 1-benzyl-4-(p-chloro-beta-phenylhydrocinnamoyl)- ; Ketone, 4-benzylpiperazinyl beta-(p-chlorophenyl)phenethyl .

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