7-oxa-2-azaspiro[3.5]nonane

• ChemBase ID: 65326
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C12(CNC1)CCOCC2
• Canonical SMILES: O1CCC2(CC1)CNC2
• InChI: InChI=1S/C7H13NO/c1-3-9-4-2-7(1)5-8-6-7/h8H,1-6H2
• InChIKey: WZFOPYGRZNUWSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 194157-10-3
• MDL Number: MFCD11204146
• PubChem SID: 162031065
• PubChem CID: 21030011

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%