3-ethoxy-7-azaspiro[3.5]nonan-1-ol hydrochloride

• ChemBase ID: 278648
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: C12(C(CC1OCC)O)CCNCC2.Cl
• Canonical SMILES: CCOC1CC(C21CCNCC2)O.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c1-2-13-9-7-8(12)10(9)3-5-11-6-4-10;/h8-9,11-12H,2-7H2,1H3;1H
• InChIKey: LFOGKMHLMFZYHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-7-azaspiro[3.5]nonan-1-ol hydrochloride
• IUPAC Traditional name: 3-ethoxy-7-azaspiro[3.5]nonan-1-ol hydrochloride
• Synonyms: 3-ethoxy-7-azaspiro[3.5]nonan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD20233490
• PubChem SID: 164334558
• PubChem CID: 54594943

CALCULATED PROPERTIES

• Acid pKa: 14.681836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5284905
• LogD (pH = 7.4): -2.8321142
• Log P: -0.30908504
• Molar Refractivity: 51.1451 cm^3
• Polarizability: 20.530987 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.123

Product Information

• Purity: 95%