1,4-dioxaspiro[4.5]decan-6-amine

• ChemBase ID: 241471
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C12(OCCO1)C(N)CCCC2
• Canonical SMILES: NC1CCCCC21OCCO2
• InChI: InChI=1S/C8H15NO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6,9H2
• InChIKey: OGSUWVLDPAKUDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxaspiro[4.5]decan-6-amine
• IUPAC Traditional name: 1,4-dioxaspiro[4.5]decan-6-amine
• Synonyms: 1,4-dioxaspiro[4.5]decan-6-amine

Database IDs

• MDL Number: MFCD20702056
• PubChem SID: 164297381
• PubChem CID: 22139851

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1294732
• LogD (pH = 7.4): -0.87493855
• Log P: 0.7952506
• Molar Refractivity: 41.4056 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 44.48 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.663

Product Information

• Purity: 95%