1-(diphenylmethyl)-3-phenylazetidine

• ChemBase ID: 51495
• Molecular Formular: C22H21N
• Molecular Mass: 299.40884
• Monoisotopic Mass: 299.16739968
• SMILES: N1(CC(C1)c1ccccc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1CN(C1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H21N/c1-4-10-18(11-5-1)21-16-23(17-21)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2
• InChIKey: PAXDHGAELYIMBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-3-phenylazetidine
• IUPAC Traditional name: 1-(diphenylmethyl)-3-phenylazetidine
• Synonyms: 1-Benzhydryl-3-phenylazetane

Database IDs

• MDL Number: MFCD16622779
• PubChem SID: 162056258
• PubChem CID: 16089447

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0912378
• LogD (pH = 7.4): 3.7538767
• Log P: 5.200445
• Molar Refractivity: 96.2913 cm^3
• Polarizability: 37.74798 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 77 - 78 °C; 77-78°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%