2-{1,4-dioxaspiro[4.5]decan-8-yl}ethan-1-amine

• ChemBase ID: 293146
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: NCCC1CCC2(CC1)OCCO2
• Canonical SMILES: NCCC1CCC2(CC1)OCCO2
• InChI: InChI=1S/C10H19NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-8,11H2
• InChIKey: SSPKQTFXNGPRNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1,4-dioxaspiro[4.5]decan-8-yl}ethan-1-amine
• IUPAC Traditional name: 2-{1,4-dioxaspiro[4.5]decan-8-yl}ethanamine
• Synonyms: 2-(1,4-Dioxaspiro[4.5]decan-8-yl)ethanamine; 2-(1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ETHYLAMINE

Database IDs

• CAS Number: 124499-34-9
• PubChem SID: 180678677
• PubChem CID: 10058234

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0874546
• LogD (pH = 7.4): -1.6627035
• Log P: 0.9363619
• Molar Refractivity: 51.2328 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%