1-azaspiro[3.5]nonan-7-ylmethanol

• ChemBase ID: 247243
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C12(NCC1)CCC(CC2)CO
• Canonical SMILES: OCC1CCC2(CC1)CCN2
• InChI: InChI=1S/C9H17NO/c11-7-8-1-3-9(4-2-8)5-6-10-9/h8,10-11H,1-7H2
• InChIKey: NNUZBNFCBPYLBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azaspiro[3.5]nonan-7-ylmethanol
• IUPAC Traditional name: 1-azaspiro[3.5]nonan-7-ylmethanol
• Synonyms: 1-azaspiro[3.5]nonan-7-ylmethanol

Database IDs

• PubChem SID: 164303153
• PubChem CID: 71758176

CALCULATED PROPERTIES

• Acid pKa: 17.642984
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8928304
• LogD (pH = 7.4): -2.7422495
• Log P: 0.3468898
• Molar Refractivity: 44.8939 cm^3
• Polarizability: 17.993933 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.34

Product Information

• Purity: 95%