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

• ChemBase ID: 277626
• Molecular Formular: C10H13Cl2N
• Molecular Mass: 218.12292
• Monoisotopic Mass: 217.04250478
• SMILES: C1(CC1N)(c1c(Cl)cccc1)C.Cl
• Canonical SMILES: NC1CC1(C)c1ccccc1Cl.Cl
• InChI: InChI=1S/C10H12ClN.ClH/c1-10(6-9(10)12)7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H
• InChIKey: HVCUHGPVMDZXTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982397
• PubChem SID: 164333536
• PubChem CID: 53621870

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.62927634
• LogD (pH = 7.4): 0.5297876
• Log P: 2.320928
• Molar Refractivity: 50.8995 cm^3
• Polarizability: 20.275183 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 2.71

Product Information

• Purity: 95%