1,4-dioxa-7-azaspiro[4.5]decane

• ChemBase ID: 241173
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C12(OCCO1)CNCCC2
• Canonical SMILES: C1CCC2(CN1)OCCO2
• InChI: InChI=1S/C7H13NO2/c1-2-7(6-8-3-1)9-4-5-10-7/h8H,1-6H2
• InChIKey: FZWPOVPBHOSLFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 1,4-dioxa-7-azaspiro[4.5]decane
• Synonyms: 1,4-dioxa-7-azaspiro[4.5]decane; 1,4-Dioxa-7-aza-spiro[4.5]decane

Database IDs

• CAS Number: 40369-91-3
• MDL Number: MFCD11858448
• PubChem SID: 164297083
• PubChem CID: 12394773

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7333689
• LogD (pH = 7.4): -1.2251418
• Log P: 0.2789266
• Molar Refractivity: 37.308 cm^3
• Polarizability: 15.092001 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0020

Product Information

• Purity: 95%; 96%