2-oxa-6-azaspiro[3.5]nonane

• ChemBase ID: 61787
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C1OCC21CNCCC2
• Canonical SMILES: C1CCC2(CN1)COC2
• InChI: InChI=1S/C7H13NO/c1-2-7(4-8-3-1)5-9-6-7/h8H,1-6H2
• InChIKey: SDESQEIYRGXXPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxa-6-azaspiro[3.5]nonane
• IUPAC Traditional name: 2-oxa-6-azaspiro[3.5]nonane
• Synonyms: 2-Oxa-6-azaspiro[3.5]nonane; 6-Aza-2-oxaspiro[3.5]nonane

Database IDs

• CAS Number: 1046153-20-1
• MDL Number: MFCD12407095
• PubChem SID: 162027526
• PubChem CID: 51341945

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2188451
• LogD (pH = 7.4): -2.523397
• Log P: 6.225953E-4
• Molar Refractivity: 35.7444 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: Harmful/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%