hydrogen 1-(2-chlorophenyl)piperazine chloride

• ChemBase ID: 288477
• Molecular Formular: C10H13Cl2N2-
• Molecular Mass: 232.12962
• Monoisotopic Mass: 231.04557879
• SMILES: c1c(N2CCNCC2)c(ccc1)Cl.[Cl-]
• Canonical SMILES: Clc1ccccc1N1CCNCC1.[Cl-]
• InChI: InChI=1S/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H/p-1
• InChIKey: GUTWDZXWTKMXPI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 1-(2-chlorophenyl)piperazine chloride
• IUPAC Traditional name: hydrogen 1-(2-chlorophenyl)piperazine chloride
• Synonyms: 1-(2-Chlorophenyl)piperazine hydrochloride

Database IDs

• CAS Number: 41202-32-8
• MDL Number: MFCD00012761
• PubChem SID: 180674008
• PubChem CID: 50986875

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.835547
• LogD (pH = 7.4): 0.7059826
• Log P: 2.149406
• Molar Refractivity: 56.0468 cm^3
• Polarizability: 21.495274 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%