[1-(diphenylmethyl)azetidin-3-yl]methanol

• ChemBase ID: 63235
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: C(c1ccccc1)(c1ccccc1)N1CC(CO)C1
• Canonical SMILES: OCC1CN(C1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H19NO/c19-13-14-11-18(12-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17,19H,11-13H2
• InChIKey: GEFUGGQLCNKIQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(diphenylmethyl)azetidin-3-yl]methanol
• IUPAC Traditional name: [1-(diphenylmethyl)azetidin-3-yl]methanol
• Synonyms: (1-Benzhydrylazetidin-3-yl)methanol

Database IDs

• CAS Number: 72351-36-1
• MDL Number: MFCD03407522
• PubChem SID: 162028974
• PubChem CID: 2758715

CALCULATED PROPERTIES

• Acid pKa: 15.391174
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19419307
• LogD (pH = 7.4): 1.9670423
• Log P: 2.8910418
• Molar Refractivity: 77.7642 cm^3
• Polarizability: 30.59066 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%