(3R)-pyrrolidin-3-ol

• ChemBase ID: 799558
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: N1C[C@@H](CC1)O
• Canonical SMILES: O[C@H]1CNCC1
• InChI: InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m1/s1
• InChIKey: JHHZLHWJQPUNKB-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-pyrrolidin-3-ol
• IUPAC Traditional name: (3R)-pyrrolidin-3-ol
• Synonyms: (R)-pyrrolidin-3-ol

Database IDs

• CAS Number: 2799-21-5

CALCULATED PROPERTIES

• Acid pKa: 14.857613
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.1708517
• LogD (pH = 7.4): -3.8556705
• Log P: -0.93477863
• Molar Refractivity: 23.5523 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%