Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
Piperazine,1-benzyl-4-(p-chloro-b-phenylhydrocinnamoyl)- (8CI) |
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
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. |
Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−.
DOT Classification: 3; Label: Flammable Liquid
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 .