2-oxa-5-azaspiro[3.5]nonane

• ChemBase ID: 61786
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C1OCC21NCCCC2
• Canonical SMILES: C1CCC2(NC1)COC2
• InChI: InChI=1S/C7H13NO/c1-2-4-8-7(3-1)5-9-6-7/h8H,1-6H2
• InChIKey: FNTBEHJVXDDFRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxa-5-azaspiro[3.5]nonane
• IUPAC Traditional name: 2-oxa-5-azaspiro[3.5]nonane
• Synonyms: 2-Oxa-5-azaspiro[3.5]nonane

Database IDs

• CAS Number: 1046153-04-1
• MDL Number: MFCD13180592
• PubChem SID: 162027525
• PubChem CID: 53484586

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4175081
• LogD (pH = 7.4): -0.76162493
• Log P: 0.422523
• Molar Refractivity: 35.4697 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%