2-(azidomethyl)-5-methylfuran

• ChemBase ID: 243072
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: [N+](=[N-])=NCc1oc(cc1)C
• Canonical SMILES: [N-]=[N+]=NCc1ccc(o1)C
• InChI: InChI=1S/C6H7N3O/c1-5-2-3-6(10-5)4-8-9-7/h2-3H,4H2,1H3
• InChIKey: IVUPASKWTICFMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azidomethyl)-5-methylfuran
• IUPAC Traditional name: 2-(azidomethyl)-5-methylfuran
• Synonyms: 2-(azidomethyl)-5-methylfuran

Database IDs

• MDL Number: MFCD14652345
• PubChem SID: 164298982
• PubChem CID: 61374376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1720028
• LogD (pH = 7.4): 1.1720028
• Log P: 1.2860484
• Molar Refractivity: 36.707 cm^3
• Polarizability: 13.104877 Å^3
• Polar Surface Area: 42.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.939

Product Information

• Purity: 95%