1,4-dioxaspiro[4.5]decan-7-amine

• ChemBase ID: 248940
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C12(CC(N)CCC2)OCCO1
• Canonical SMILES: NC1CCCC2(C1)OCCO2
• InChI: InChI=1S/C8H15NO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h7H,1-6,9H2
• InChIKey: FHIZBPVFWFMMBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxaspiro[4.5]decan-7-amine
• IUPAC Traditional name: 1,4-dioxaspiro[4.5]decan-7-amine
• Synonyms: 1,4-dioxaspiro[4.5]decan-7-amine

Database IDs

• MDL Number: MFCD19373870
• PubChem SID: 164304850
• PubChem CID: 58382568

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4047024
• LogD (pH = 7.4): -2.0375888
• Log P: 0.6209851
• Molar Refractivity: 41.2564 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): -0.094

Product Information

• Purity: 95%