dinitroethene-1,2-diamine

• ChemBase ID: 284979
• Molecular Formular: C2H4N4O4
• Molecular Mass: 148.07756
• Monoisotopic Mass: 148.02325463
• SMILES: C(=C(\[N+](=O)[O-])/N)(/[N+](=O)[O-])\N
• Canonical SMILES: N/C(=C(\[N+](=O)[O-])/N)/[N+](=O)[O-]
• InChI: InChI=1S/C2H4N4O4/c3-1(5(7)8)2(4)6(9)10/h3-4H2
• InChIKey: QVYSQTANFYDRPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dinitroethene-1,2-diamine
• IUPAC Traditional name: dinitroethene-1,2-diamine
• Synonyms: dinitroethene-1,2-diamine

Database IDs

• MDL Number: MFCD21602483
• PubChem SID: 180670510
• PubChem CID: 23021326

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.7765895
• LogD (pH = 7.4): -0.7765895
• Log P: -0.7765895
• Molar Refractivity: 27.226 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

• Hydrophobicity(logP): -5.007

Product Information

• Purity: 95%