2-(2-azidoethyl)-1,3-dioxolane

• ChemBase ID: 161022
• Molecular Formular: C5H9N3O2
• Molecular Mass: 143.14386
• Monoisotopic Mass: 143.06947654
• SMILES: C1OC(OC1)CCN=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCCC1OCCO1
• InChI: InChI=1S/C5H9N3O2/c6-8-7-2-1-5-9-3-4-10-5/h5H,1-4H2
• InChIKey: HZXUTNVEYFYDNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-azidoethyl)-1,3-dioxolane
• IUPAC Traditional name: 2-(2-azidoethyl)-1,3-dioxolane
• Synonyms: 3-Azidopropionaldehyde Cyclic Ethylene Acetal; Azidoethyldioxolane; 2-(2-Azidoethyl)-1,3-dioxolane

Database IDs

• CAS Number: 111752-08-0
• PubChem SID: 162255157
• PubChem CID: 13816330

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.51842695
• LogD (pH = 7.4): 0.51842695
• Log P: 0.6324726
• Molar Refractivity: 33.8612 cm^3
• Polarizability: 12.97977 Å^3
• Polar Surface Area: 47.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Colourless Oil