tetraazidomethane

• ChemBase ID: 129768
• Molecular Formular: CN12
• Molecular Mass: 180.0911
• Monoisotopic Mass: 180.03688806
• SMILES: [N-]=[N+]=NC(N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NC(N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-]
• InChI: InChI=1S/CN12/c2-10-6-1(7-11-3,8-12-4)9-13-5
• InChIKey: PGNZIEKVQCKOBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraazidomethane
• IUPAC Traditional name: tetraazidomethane
• Synonyms: Tetraazidomethane

Database IDs

• CAS Number: 869384-16-7
• PubChem SID: 162224057
• PubChem CID: 16059578
• Chemspider ID: 17219283
• Wikipedia Title: Tetraazidomethane

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 1.5672824
• LogD (pH = 7.4): 1.5672824
• Log P: 2.023465
• Molar Refractivity: 37.7322 cm^3
• Polarizability: 12.255966 Å^3
• Polar Surface Area: 117.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: ~165 °C (estimate)