7-oxa-2-azaspiro[3.5]nonane hydrochloride

• ChemBase ID: 241046
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: N1CC2(C1)CCOCC2.Cl
• Canonical SMILES: O1CCC2(CC1)CNC2.Cl
• InChI: InChI=1S/C7H13NO.ClH/c1-3-9-4-2-7(1)5-8-6-7;/h8H,1-6H2;1H
• InChIKey: HJDIPGYOFUZLRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-oxa-2-azaspiro[3.5]nonane hydrochloride
• IUPAC Traditional name: 7-oxa-2-azaspiro[3.5]nonane hydrochloride
• Synonyms: 7-oxa-2-azaspiro[3.5]nonane hydrochloride

Database IDs

• MDL Number: MFCD22421803
• PubChem SID: 164296956
• PubChem CID: 71464169

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3879216
• LogD (pH = 7.4): -2.9605956
• Log P: -0.15528487
• Molar Refractivity: 35.8984 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.591

Product Information

• Purity: 95%