8-oxa-2-azaspiro[4.5]decane

• ChemBase ID: 37493
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C12(CCOCC1)CCNC2
• Canonical SMILES: O1CCC2(CC1)CNCC2
• InChI: InChI=1S/C8H15NO/c1-4-9-7-8(1)2-5-10-6-3-8/h9H,1-7H2
• InChIKey: JVBOTGLQUHBBCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-oxa-2-azaspiro[4.5]decane
• IUPAC Traditional name: 8-oxa-2-azaspiro[4.5]decane
• Synonyms: 8-Oxa-2-azaspiro[4.5]decane

Database IDs

• CAS Number: 310-93-0
• MDL Number: MFCD12028170
• PubChem SID: 161000800
• PubChem CID: 25220538

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.107422
• LogD (pH = 7.4): -3.0208669
• Log P: 0.13337635
• Molar Refractivity: 40.6534 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.032

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%