1-(2,3-dichlorophenyl)piperazine

• ChemBase ID: 125205
• Molecular Formular: C10H12Cl2N2
• Molecular Mass: 231.12168
• Monoisotopic Mass: 230.03775375
• SMILES: Clc1c(Cl)c(ccc1)N1CCNCC1
• Canonical SMILES: Clc1c(Cl)cccc1N1CCNCC1
• InChI: InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
• InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dichlorophenyl)piperazine
• IUPAC Traditional name: 2,3-dichlorophenylpiperazine
• Synonyms: 2,3-Dichlorophenylpiperazine; 1-(2,3-Dichlorophenyl)piperazine

Database IDs

• CAS Number: 41202-77-1
• MDL Number: MFCD01075181
• PubChem SID: 162219555
• PubChem CID: 851833
• Chemspider ID: 744460
• Wikipedia Title: 2,3-Dichlorophenylpiperazine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22615209
• LogD (pH = 7.4): 1.3213116
• Log P: 2.7534506
• Molar Refractivity: 60.8516 cm^3
• Polarizability: 23.411415 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: brown oil
• Melting Point: 242-244°C
• Boiling Point: 365.1°C @ 760mmHg
• Flash Point: 174.6°C
• Density: 1.272g/cm^3 °C

Product Information

• Purity: 95+%; 97%