2-(diphenylmethyl)-2-azaspiro[3.3]heptan-5-ol

• ChemBase ID: 61791
• Molecular Formular: C19H21NO
• Molecular Mass: 279.37614
• Monoisotopic Mass: 279.1623143
• SMILES: C1N(CC21C(CC2)O)C(c1ccccc1)c1ccccc1
• Canonical SMILES: OC1CCC21CN(C2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H21NO/c21-17-11-12-19(17)13-20(14-19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2
• InChIKey: JMBMIGJCORKXEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylmethyl)-2-azaspiro[3.3]heptan-5-ol
• IUPAC Traditional name: 2-(diphenylmethyl)-2-azaspiro[3.3]heptan-5-ol
• Synonyms: 2-Benzhydryl-2-azaspiro[3.3]heptan-5-ol

Database IDs

• CAS Number: 1263296-81-6
• MDL Number: MFCD20444452
• PubChem SID: 162027530
• PubChem CID: 54759125

CALCULATED PROPERTIES

• Acid pKa: 14.771884
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.80415887
• LogD (pH = 7.4): 2.5721846
• Log P: 3.3090243
• Molar Refractivity: 84.8535 cm^3
• Polarizability: 33.542908 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%