2-(4-phenylphenyl)piperazine

• ChemBase ID: 66292
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: N1C(CNCC1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: C1NCC(NC1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C16H18N2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)16-12-17-10-11-18-16/h1-9,16-18H,10-12H2
• InChIKey: QUINYTMXFWCKTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)piperazine
• IUPAC Traditional name: 2-(4-phenylphenyl)piperazine
• Synonyms: 2-(4-Biphenylyl)piperazine; 2-Biphenyl-4-yl-piperazine; 2-Biphenyl-4-ylpiperazine; 2-(4-联苯基)哌嗪

Database IDs

• CAS Number: 105242-10-2
• MDL Number: MFCD05864686
• PubChem SID: 162032030
• PubChem CID: 2771747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.4101361
• LogD (pH = 7.4): 1.0694817
• Log P: 2.7026587
• Molar Refractivity: 74.8678 cm^3
• Polarizability: 31.144518 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156-159°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 95+%; 98%