6-oxaspiro[4.5]decan-9-amine

• ChemBase ID: 236164
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C12(OCCC(C1)N)CCCC2
• Canonical SMILES: NC1CCOC2(C1)CCCC2
• InChI: InChI=1S/C9H17NO/c10-8-3-6-11-9(7-8)4-1-2-5-9/h8H,1-7,10H2
• InChIKey: PPOWVINCRQGBEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxaspiro[4.5]decan-9-amine
• IUPAC Traditional name: 6-oxaspiro[4.5]decan-9-amine
• Synonyms: 6-oxaspiro[4.5]decan-9-amine

Database IDs

• MDL Number: MFCD19651206
• PubChem SID: 164292074
• PubChem CID: 64104760

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4115918
• LogD (pH = 7.4): -2.047865
• Log P: 0.6141978
• Molar Refractivity: 44.6971 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.4

Product Information

• Purity: 95%