2-phenylcyclopropan-1-amine

• ChemBase ID: 263563
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: C1(CC1N)c1ccccc1
• Canonical SMILES: NC1CC1c1ccccc1
• InChI: InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
• InChIKey: AELCINSCMGFISI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylcyclopropan-1-amine
• IUPAC Traditional name: parnate
• Synonyms: 2-phenylcyclopropan-1-amine

Database IDs

• MDL Number: MFCD04114536
• PubChem SID: 164319473
• PubChem CID: 5530

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6602782
• LogD (pH = 7.4): -0.82371813
• Log P: 1.3388824
• Molar Refractivity: 41.6966 cm^3
• Polarizability: 16.617031 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 169°C
• Hydrophobicity(logP): 1.248

Product Information

• Purity: 95%