2,6-dioxaspiro[4.5]decan-9-amine

• ChemBase ID: 246353
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C12(OCCC(C1)N)CCOC2
• Canonical SMILES: NC1CCOC2(C1)COCC2
• InChI: InChI=1S/C8H15NO2/c9-7-1-3-11-8(5-7)2-4-10-6-8/h7H,1-6,9H2
• InChIKey: OKTVRYAQXUEGCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dioxaspiro[4.5]decan-9-amine
• IUPAC Traditional name: 2,6-dioxaspiro[4.5]decan-9-amine
• Synonyms: 2,6-dioxaspiro[4.5]decan-9-amine

Database IDs

• MDL Number: MFCD19651210
• PubChem SID: 164302263
• PubChem CID: 64105379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8650212
• LogD (pH = 7.4): -3.4997644
• Log P: -0.8392777
• Molar Refractivity: 41.894 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.344

Product Information

• Purity: 95%