bis(naphthalen-2-yl)(2R)-pyrrolidin-2-ylmethanol

• ChemBase ID: 288305
• Molecular Formular: C25H23NO
• Molecular Mass: 353.45622
• Monoisotopic Mass: 353.17796436
• SMILES: OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1NCCC1
• Canonical SMILES: OC(c1ccc2c(c1)cccc2)(c1ccc2c(c1)cccc2)[C@H]1CCCN1
• InChI: InChI=1S/C25H23NO/c27-25(24-10-5-15-26-24,22-13-11-18-6-1-3-8-20(18)16-22)23-14-12-19-7-2-4-9-21(19)17-23/h1-4,6-9,11-14,16-17,24,26-27H,5,10,15H2/t24-/m1/s1
• InChIKey: LNUDNNFEXRHHGY-XMMPIXPASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(naphthalen-2-yl)(2R)-pyrrolidin-2-ylmethanol
• IUPAC Traditional name: bis(naphthalen-2-yl)(2R)-pyrrolidin-2-ylmethanol
• Synonyms: (R)-Di-2-Naphthylprolinol

Database IDs

• CAS Number: 130798-48-0
• PubChem SID: 180673836
• PubChem CID: 7020307

CALCULATED PROPERTIES

• Acid pKa: 12.83612
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6230861
• LogD (pH = 7.4): 2.0623338
• Log P: 4.8553
• Molar Refractivity: 110.0833 cm^3
• Polarizability: 45.81769 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%