2-phenylcyclobutan-1-amine

• ChemBase ID: 276698
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(CCC1N)c1ccccc1
• Canonical SMILES: NC1CCC1c1ccccc1
• InChI: InChI=1S/C10H13N/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2
• InChIKey: PKMQLQANCCIABY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylcyclobutan-1-amine
• IUPAC Traditional name: 2-phenylcyclobutan-1-amine
• Synonyms: 2-phenylcyclobutan-1-amine

Database IDs

• MDL Number: MFCD19210030
• PubChem SID: 164332608
• PubChem CID: 19703781

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2291166
• LogD (pH = 7.4): -0.56523806
• Log P: 1.7834511
• Molar Refractivity: 46.2976 cm^3
• Polarizability: 18.464163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.807

Product Information

• Purity: 95%