3-(azidomethyl)oxolane

• ChemBase ID: 244264
• Molecular Formular: C5H9N3O
• Molecular Mass: 127.14446
• Monoisotopic Mass: 127.07456192
• SMILES: [N+](=[N-])=NCC1COCC1
• Canonical SMILES: [N-]=[N+]=NCC1COCC1
• InChI: InChI=1S/C5H9N3O/c6-8-7-3-5-1-2-9-4-5/h5H,1-4H2
• InChIKey: MTQUFUWHSLBOND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(azidomethyl)oxolane
• IUPAC Traditional name: 3-(azidomethyl)oxolane
• Synonyms: 3-(azidomethyl)oxolane

Database IDs

• MDL Number: MFCD14652859
• PubChem SID: 164300174
• PubChem CID: 11297974

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.20649663
• LogD (pH = 7.4): 0.20649663
• Log P: 0.32054228
• Molar Refractivity: 33.1475 cm^3
• Polarizability: 12.221376 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.318

Product Information

• Purity: 95%