2-phenylazetidine

• ChemBase ID: 257778
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: N1C(c2ccccc2)CC1
• Canonical SMILES: C1CC(N1)c1ccccc1
• InChI: InChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5,9-10H,6-7H2
• InChIKey: CLNGGMJEJSANIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylazetidine
• IUPAC Traditional name: 2-phenylazetidine
• Synonyms: 2-phenylazetidine

Database IDs

• CAS Number: 22610-18-0
• MDL Number: MFCD06217591
• PubChem SID: 164313688
• PubChem CID: 568971

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7389123
• LogD (pH = 7.4): -1.0322833
• Log P: 1.4797965
• Molar Refractivity: 41.8726 cm^3
• Polarizability: 16.69657 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.375

Product Information

• Purity: 95%