2-(4-chlorophenyl)azetidine hydrochloride

• ChemBase ID: 283270
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: N1C(c2ccc(cc2)Cl)CC1.Cl
• Canonical SMILES: Clc1ccc(cc1)C1CCN1.Cl
• InChI: InChI=1S/C9H10ClN.ClH/c10-8-3-1-7(2-4-8)9-5-6-11-9;/h1-4,9,11H,5-6H2;1H
• InChIKey: JOPCRGUALNXMLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)azetidine hydrochloride
• IUPAC Traditional name: 2-(4-chlorophenyl)azetidine hydrochloride
• Synonyms: 2-(4-chlorophenyl)azetidine hydrochloride

Database IDs

• MDL Number: MFCD20501969
• PubChem SID: 180668801
• PubChem CID: 54595700

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1253357
• LogD (pH = 7.4): -0.2997428
• Log P: 2.083841
• Molar Refractivity: 46.6774 cm^3
• Polarizability: 18.50614 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 2.088

Product Information

• Purity: 95%