dinitroethene-1,1-diamine

• ChemBase ID: 127479
• Molecular Formular: C2H4N4O4
• Molecular Mass: 148.07756
• Monoisotopic Mass: 148.02325463
• SMILES: NC(=C([N+](=O)[O-])[N+](=O)[O-])N
• Canonical SMILES: NC(=C([N+](=O)[O-])[N+](=O)[O-])N
• InChI: InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2
• InChIKey: FUHQFAMVYDIUKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dinitroethene-1,1-diamine
• IUPAC Traditional name: fox-7
• Synonyms: FOX-7; FOX7; FOX-7

Database IDs

• CAS Number: 145250-81-3
• PubChem SID: 162221798
• PubChem CID: 536770
• Wikipedia Title: FOX-7

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.77659106
• LogD (pH = 7.4): -0.7765895
• Log P: -0.7765895
• Molar Refractivity: 37.8409 cm^3
• Polarizability: 10.720526 Å^3
• Polar Surface Area: 143.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238 °C (decomp.)
• Density: 1.885 g cm^-3

Safety Information

• Explosive Velocity: 8870 m/s at density 1.885 g cm^-3 (estimated); 8335 m/s at density 1.756 g cm^-3 (measured, small-scale testing)