(4-chlorophenyl)(cyclopropyl)methanamine hydrochloride

• ChemBase ID: 254645
• Molecular Formular: C10H13Cl2N
• Molecular Mass: 218.12292
• Monoisotopic Mass: 217.04250478
• SMILES: C1(CC1)C(c1ccc(cc1)Cl)N.Cl
• Canonical SMILES: NC(c1ccc(cc1)Cl)C1CC1.Cl
• InChI: InChI=1S/C10H12ClN.ClH/c11-9-5-3-8(4-6-9)10(12)7-1-2-7;/h3-7,10H,1-2,12H2;1H
• InChIKey: IYHHCTOKERFDLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(cyclopropyl)methanamine hydrochloride
• IUPAC Traditional name: (4-chlorophenyl)(cyclopropyl)methanamine hydrochloride
• Synonyms: (4-chlorophenyl)(cyclopropyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD10639459
• PubChem SID: 164310555
• PubChem CID: 45791369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.46411535
• LogD (pH = 7.4): 0.2738284
• Log P: 2.5434034
• Molar Refractivity: 50.9484 cm^3
• Polarizability: 20.349655 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): 2.56

Product Information

• Purity: 95%