copper(2+) ion bis(2λ6-triaza-1,2-diyne)

• ChemBase ID: 126698
• Molecular Formular: CuN6
• Molecular Mass: 147.5862
• Monoisotopic Mass: 146.94804153
• SMILES: [Cu+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=[N-].[N-]=[N+]=[N-].[Cu+2]
• InChI: InChI=1S/Cu.2N3/c;2*1-3-2/q+2;2*-1
• InChIKey: SXHYOTRZGGGMEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(2λ^6-triaza-1,2-diyne)
• IUPAC Traditional name: copper(2+) ion bis(azide)
• Synonyms: Copper(II) azide

Database IDs

• CAS Number: 14215-30-6
• PubChem SID: 162221026
• PubChem CID: 24745345
• Chemspider ID: 21106430
• Wikipedia Title: Copper(II)_azide

CALCULATED PROPERTIES

• 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
• Acid pKa: 5.091568

PROPERTIES

Physical Property

• Apperance: brown orthorhombic crystals
• Melting Point: (explodes)
• Flash Point: ?
• Density: 2.6 g/cm ^3

Safety Information

• European Hazard Symbols: Explosive (E); Toxic (T)
• NFPA704:
  

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