octahydro-1H-quinolizin-1-ol

• ChemBase ID: 243543
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: N12C(C(O)CCC1)CCCC2
• Canonical SMILES: OC1CCCN2C1CCCC2
• InChI: InChI=1S/C9H17NO/c11-9-5-3-7-10-6-2-1-4-8(9)10/h8-9,11H,1-7H2
• InChIKey: MTVNMVKUNMOINI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydro-1H-quinolizin-1-ol
• IUPAC Traditional name: octahydro-1H-quinolizin-1-ol
• Synonyms: octahydro-1H-quinolizin-1-ol

Database IDs

• MDL Number: MFCD00598828
• PubChem SID: 164299453
• PubChem CID: 558152

CALCULATED PROPERTIES

• Acid pKa: 14.5944805
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5396209
• LogD (pH = 7.4): -1.3631091
• Log P: 0.8757652
• Molar Refractivity: 45.3038 cm^3
• Polarizability: 17.993933 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.959

Product Information

• Purity: 95%