2-(2-chlorophenyl)cyclobutan-1-amine hydrochloride

• ChemBase ID: 243605
• Molecular Formular: C10H13Cl2N
• Molecular Mass: 218.12292
• Monoisotopic Mass: 217.04250478
• SMILES: C1(c2c(Cl)cccc2)CCC1N.Cl
• Canonical SMILES: NC1CCC1c1ccccc1Cl.Cl
• InChI: InChI=1S/C10H12ClN.ClH/c11-9-4-2-1-3-7(9)8-5-6-10(8)12;/h1-4,8,10H,5-6,12H2;1H
• InChIKey: MMYQTGMGVYSVJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)cyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-chlorophenyl)cyclobutan-1-amine hydrochloride
• Synonyms: 2-(2-chlorophenyl)cyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD23143994
• PubChem SID: 164299515
• PubChem CID: 71757296

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.62096906
• LogD (pH = 7.4): 0.10409369
• Log P: 2.3874958
• Molar Refractivity: 51.1024 cm^3
• Polarizability: 20.275427 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 2.52

Product Information

• Purity: 95%