potassium 2λ6-triaza-1,2-diyne

• ChemBase ID: 129051
• Molecular Formular: KN3
• Molecular Mass: 81.1184
• Monoisotopic Mass: 80.9729287
• SMILES: [N-]=[N+]=[N-].[K+]
• Canonical SMILES: [N-]=[N+]=[N-].[K+]
• InChI: InChI=1S/K.N3/c;1-3-2/q+1;-1
• InChIKey: TZLVRPLSVNESQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2λ^6-triaza-1,2-diyne
• IUPAC Traditional name: potassium azide
• Synonyms: Potassium azide

Database IDs

• CAS Number: 20762-60-1
• PubChem SID: 162223352
• PubChem CID: 10996957; 10290740
• Wikipedia Title: Potassium_azide

CALCULATED PROPERTIES

• Acid pKa: 5.091568
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.11483899
• LogD (pH = 7.4): -0.14936252
• Log P: 0.07809129
• Molar Refractivity: 7.6 cm^3
• Polarizability: 2.852743 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 50.8 g/100g H₂O at 20 °C
• Apperance: Colorless crystals
• Melting Point: 350 °C (in vacuum)
• Boiling Point: decomposes
• Density: 2.04 g/cm^3

Safety Information

• Main Hazard: Very Toxic, explosive if strongly heated
• NFPA704:
  

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