(2-phenylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 273241
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C1(CC1CN)c1ccccc1.Cl
• Canonical SMILES: NCC1CC1c1ccccc1.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-7-9-6-10(9)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,11H2;1H
• InChIKey: IQFBVCYZPKNMIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18483297
• PubChem SID: 164329151
• PubChem CID: 16047417

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4442185
• LogD (pH = 7.4): -0.92565805
• Log P: 1.5759414
• Molar Refractivity: 46.5044 cm^3
• Polarizability: 18.464933 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Hydrophobicity(logP): 1.717

Product Information

• Purity: 95%