cyclopropyl(4-methylphenyl)methanamine hydrochloride

• ChemBase ID: 255759
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(CC1)C(c1ccc(cc1)C)N.Cl
• Canonical SMILES: NC(c1ccc(cc1)C)C1CC1.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8-2-4-9(5-3-8)11(12)10-6-7-10;/h2-5,10-11H,6-7,12H2,1H3;1H
• InChIKey: UGISAPHDCRKUSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-methylphenyl)methanamine hydrochloride
• IUPAC Traditional name: cyclopropyl(4-methylphenyl)methanamine hydrochloride
• Synonyms: 1-cyclopropyl-1-(4-methylphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD10686687
• PubChem SID: 164311669
• PubChem CID: 43810599

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5595643
• LogD (pH = 7.4): 0.10789523
• Log P: 2.45278
• Molar Refractivity: 51.1848 cm^3
• Polarizability: 20.30873 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 237 - 239°C
• Hydrophobicity(logP): 2.346

Product Information

• Purity: 95%