2-(pyrrolidin-2-yl)propan-2-ol

• ChemBase ID: 241411
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C(C1NCCC1)(O)(C)C
• Canonical SMILES: CC(C1CCCN1)(O)C
• InChI: InChI=1S/C7H15NO/c1-7(2,9)6-4-3-5-8-6/h6,8-9H,3-5H2,1-2H3
• InChIKey: PSXWGNIMIRRWRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-2-yl)propan-2-ol
• IUPAC Traditional name: 2-(pyrrolidin-2-yl)propan-2-ol
• Synonyms: 2-(pyrrolidin-2-yl)propan-2-ol

Database IDs

• MDL Number: MFCD11044101
• PubChem SID: 164297321
• PubChem CID: 12732176

CALCULATED PROPERTIES

• Acid pKa: 14.723167
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9601808
• LogD (pH = 7.4): -2.8205724
• Log P: 0.27973574
• Molar Refractivity: 37.2539 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.4

Product Information

• Purity: 95%