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

• ChemBase ID: 307244
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1(CCCO)CCCC1
• Canonical SMILES: OCCCN1CCCC1
• InChI: InChI=1S/C7H15NO/c9-7-3-6-8-4-1-2-5-8/h9H,1-7H2
• InChIKey: ZMJQROKRSPSLFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-1-yl)propan-1-ol
• IUPAC Traditional name: 3-(pyrrolidin-1-yl)propan-1-ol
• Synonyms: 3-pyrrolidin-1-ylpropan-1-ol

Database IDs

• CAS Number: 19748-66-4
• MDL Number: MFCD01687769

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4751222
• LogD (pH = 7.4): -2.4277346
• Log P: -0.03417534
• Molar Refractivity: 38.6868 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2