2-(4-methoxyphenyl)piperazine

• ChemBase ID: 53445
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1C(c2ccc(cc2)OC)CNCC1
• Canonical SMILES: COc1ccc(cc1)C1NCCNC1
• InChI: InChI=1S/C11H16N2O/c1-14-10-4-2-9(3-5-10)11-8-12-6-7-13-11/h2-5,11-13H,6-8H2,1H3
• InChIKey: INKLSJITWMAFRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)piperazine
• IUPAC Traditional name: 2-(4-methoxyphenyl)piperazine
• Synonyms: 2-(4-Methoxyphenyl)piperazine; 2-(4-Methoxyphenyl)piperazine; 2-(4-甲氧基苯基)哌嗪

Database IDs

• CAS Number: 91517-26-9
• MDL Number: MFCD05864677
• PubChem SID: 162058208
• PubChem CID: 2771753

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2116294
• LogD (pH = 7.4): -0.73184335
• Log P: 0.8977621
• Molar Refractivity: 56.1948 cm^3
• Polarizability: 22.54244 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55-63°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: >95%; 95%; 95+%; 98%