octahydroindolizin-2-ol

• ChemBase ID: 243539
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N12C(CC(C1)O)CCCC2
• Canonical SMILES: OC1CC2N(C1)CCCC2
• InChI: InChI=1S/C8H15NO/c10-8-5-7-3-1-2-4-9(7)6-8/h7-8,10H,1-6H2
• InChIKey: JNCBPYOPMRTLKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydroindolizin-2-ol
• IUPAC Traditional name: octahydroindolizin-2-ol
• Synonyms: octahydroindolizin-2-ol

Database IDs

• MDL Number: MFCD22578696
• PubChem SID: 164299449
• PubChem CID: 71757276

CALCULATED PROPERTIES

• Acid pKa: 14.838506
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1330242
• LogD (pH = 7.4): -2.689223
• Log P: 0.35840252
• Molar Refractivity: 40.6592 cm^3
• Polarizability: 16.15159 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.4

Product Information

• Purity: 95%