1,4-dioxaspiro[4.5]decan-8-amine

• ChemBase ID: 101852
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C12(OCCO1)CCC(N)CC2
• Canonical SMILES: NC1CCC2(CC1)OCCO2
• InChI: InChI=1S/C8H15NO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6,9H2
• InChIKey: KDAFVGCPLFJMHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxaspiro[4.5]decan-8-amine
• IUPAC Traditional name: 1,4-dioxaspiro[4.5]decan-8-amine
• Synonyms: 1,4-dioxaspiro[4.5]decan-8-amine; 1,4-dioxaspiro[4.5]dec-8-ylamine; 1,4-DIOXA-SPIRO[4.5]DEC-8-YLAMINE

Database IDs

• CAS Number: 97096-16-7
• MDL Number: MFCD04114556
• PubChem SID: 162087996
• PubChem CID: 14634315

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7730753
• LogD (pH = 7.4): -2.4826338
• Log P: 0.25473422
• Molar Refractivity: 41.824 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 44.48 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.094

Product Information

• Purity: 95%; 97%; 98%