9-oxa-2-azaspiro[5.5]undecane

• ChemBase ID: 57841
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C12(CCOCC1)CNCCC2
• Canonical SMILES: O1CCC2(CC1)CCCNC2
• InChI: InChI=1S/C9H17NO/c1-2-9(8-10-5-1)3-6-11-7-4-9/h10H,1-8H2
• InChIKey: YOKJEAIVPCOLMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-oxa-2-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-oxa-2-azaspiro[5.5]undecane
• Synonyms: 9-Oxa-2-azaspiro[5.5]undecane

Database IDs

• CAS Number: 57289-77-7
• MDL Number: MFCD12827461
• PubChem SID: 162062604
• PubChem CID: 21934995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.654283
• LogD (pH = 7.4): -2.2154152
• Log P: 0.577945
• Molar Refractivity: 45.2544 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.527

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%