1-(pyrrolidin-1-yl)propan-2-ol

• ChemBase ID: 796025
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C(CN1CCCC1)(O)C
• Canonical SMILES: CC(CN1CCCC1)O
• InChI: InChI=1S/C7H15NO/c1-7(9)6-8-4-2-3-5-8/h7,9H,2-6H2,1H3
• InChIKey: BPYANEJZLUMJNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-1-yl)propan-2-ol
• IUPAC Traditional name: 1-(pyrrolidin-1-yl)propan-2-ol
• Synonyms: 1-Methyl-2-pyrrolidineethanol

Database IDs

• CAS Number: 67004-64-2

CALCULATED PROPERTIES

• Acid pKa: 15.287702
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1246452
• LogD (pH = 7.4): -2.1165195
• Log P: 0.32243994
• Molar Refractivity: 38.2402 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%