bis(2-oxa-5-azaspiro[3.4]octane); oxalic acid

• ChemBase ID: 61784
• Molecular Formular: C14H24N2O6
• Molecular Mass: 316.35016
• Monoisotopic Mass: 316.1634365
• SMILES: C1OCC21NCCC2.C1OCC21NCCC2.C(=O)(C(=O)O)O
• Canonical SMILES: C1CNC2(C1)COC2.C1CNC2(C1)COC2.OC(=O)C(=O)O
• InChI: InChI=1S/2C6H11NO.C2H2O4/c2*1-2-6(7-3-1)4-8-5-6;3-1(4)2(5)6/h2*7H,1-5H2;(H,3,4)(H,5,6)
• InChIKey: GKPRXKGNXUGYIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-oxa-5-azaspiro[3.4]octane); oxalic acid
• IUPAC Traditional name: bis(2-oxa-5-azaspiro[3.4]octane); oxalic acid
• Synonyms: 2-Oxa-5-azaspiro[3.4]octane hemioxalate

Database IDs

• PubChem SID: 162103476
• PubChem CID: 71299819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1953063
• LogD (pH = 7.4): -2.1020277
• Log P: -0.022045674
• Molar Refractivity: 30.8687 cm^3
• Polarizability: 12.542403 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%