(2-methylcyclopropyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 275457
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(CC1C)C(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccccc1)C1CC1C.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8-7-10(8)11(12)9-5-3-2-4-6-9;/h2-6,8,10-11H,7,12H2,1H3;1H
• InChIKey: LZQGNVJWCDGKBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylcyclopropyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-methylcyclopropyl)(phenyl)methanamine hydrochloride
• Synonyms: (2-methylcyclopropyl)(phenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD18917362
• PubChem SID: 164331367
• PubChem CID: 54593689

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7838685
• LogD (pH = 7.4): -0.08423667
• Log P: 2.2263777
• Molar Refractivity: 50.6922 cm^3
• Polarizability: 20.390635 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 253 - 255°C
• Hydrophobicity(logP): 2.366

Product Information

• Purity: 95%