lithium(1+) ion 2λ6-triaza-1,2-diyne

• ChemBase ID: 128075
• Molecular Formular: LiN3
• Molecular Mass: 48.9611
• Monoisotopic Mass: 49.02522657
• SMILES: [Li+].[N-]=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=[N-].[Li+]
• InChI: InChI=1S/Li.N3/c;1-3-2/q+1;-1
• InChIKey: GUWHRJQTTVADPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion 2λ^6-triaza-1,2-diyne
• IUPAC Traditional name: lithium(1+) ion azide
• Synonyms: Lithium azide

Database IDs

• CAS Number: 19597-69-4
• PubChem SID: 162222391
• PubChem CID: 88163
• Chemspider ID: 79536
• Wikipedia Title: Lithium_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