sodium (1,2,3-15N3)-2λ5-triaz-1-en-2-yn-1-ide

• ChemBase ID: 177805
• Molecular Formular: N3Na
• Molecular Mass: 67.99009669
• Monoisotopic Mass: 67.99009598
• SMILES: [15N-]=[15N+]=[15N-].[Na+]
• Canonical SMILES: [15N-]=[15N+]=[15N-].[Na+]
• InChI: InChI=1S/N3.Na/c1-3-2;/q-1;+1/i1+1,2+1,3+1
• InChIKey: PXIPVTKHYLBLMZ-HCULJTSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (1,2,3-^1^5N₃)-2λ^5-triaz-1-en-2-yn-1-ide
• IUPAC Traditional name: sodium (1,2,3-^1^5N₃)-2λ^5-triaz-1-en-2-yn-1-ide
• Synonyms: Sodium Azide-15N3

Database IDs

• CAS Number: 1015486-10-8
• PubChem SID: 164233715
• PubChem CID: 71752214

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

DETAILS

Toronto Research Chemicals - S612532

Labelled Sodium Azide. Sodium azide is used in the preparation of 5-azidotetrazoles by reaction of (trifluoromethyl)azoalkanes with sodium azide.

REFERENCES

• Moller, C., et al.: Phys. Rev., 46, 618 (1934)