1-amino-1-[2-(2H-1,2,3,4-tetrazol-5-yl)diazen-1-yl]guanidine

• ChemBase ID: 129816
• Molecular Formular: C2H6N10
• Molecular Mass: 170.13604
• Monoisotopic Mass: 170.07769024
• SMILES: N=C(N)N(N)/N=N/c1n[nH]nn1
• Canonical SMILES: NC(=N)N(/N=N/c1n[nH]nn1)N
• InChI: InChI=1S/C2H6N10/c3-1(4)12(5)11-8-2-6-9-10-7-2/h5H2,(H3,3,4)(H,6,7,9,10)
• InChIKey: WSLWDHGXSGRREP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-1-[2-(2H-1,2,3,4-tetrazol-5-yl)diazen-1-yl]guanidine
• IUPAC Traditional name: 1-amino-1-[2-(2H-1,2,3,4-tetrazol-5-yl)diazen-1-yl]guanidine
• Synonyms: Tetrazene explosive

Database IDs

• CAS Number: 31330-63-9
• PubChem SID: 162224103
• PubChem CID: 5463111; 5486788
• Wikipedia Title: Tetrazene_explosive

CALCULATED PROPERTIES

• Acid pKa: 6.08899
• H Acceptors: 9
• H Donor: 4
• LogD (pH = 5.5): -1.7932936
• LogD (pH = 7.4): -1.2098092
• Log P: -1.2162614
• Molar Refractivity: 56.7215 cm^3
• Polarizability: 13.657814 Å^3
• Polar Surface Area: 158.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Pale yellow/colorless crystal plates
• Boiling Point: Decomposes at 160 °C
• Density: 1.7 g/cm^3

Safety Information

• Explosive Velocity: ~4000 m/s
• Friction Sensitivity: High
• Shock Sensitivity: High