azidomethane

• ChemBase ID: 128328
• Molecular Formular: CH3N3
• Molecular Mass: 57.05462
• Monoisotopic Mass: 57.03269711
• SMILES: CN=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NC
• InChI: InChI=1S/CH3N3/c1-3-4-2/h1H3
• InChIKey: PBTHJVDBCFJQGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azidomethane
• IUPAC Traditional name: methyl azide
• Synonyms: azidomethane; Methyl azide

Database IDs

• PubChem SID: 162222636
• PubChem CID: 79079
• Chemspider ID: 71411
• Wikipedia Title: Methyl_azide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.18772171
• LogD (pH = 7.4): 0.18772171
• Log P: 0.30176735
• Molar Refractivity: 14.5538 cm^3
• Polarizability: 4.902946 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Main Hazard: Harmful, Explosive
• Friction Sensitivity: High
• Shock Sensitivity: High