2-nitroethene-1,1-diamine

• ChemBase ID: 309118
• Molecular Formular: C2H5N3O2
• Molecular Mass: 103.08
• Monoisotopic Mass: 103.03817642
• SMILES: [N+](=O)(C=C(N)N)[O-]
• Canonical SMILES: NC(=C[N+](=O)[O-])N
• InChI: InChI=1S/C2H5N3O2/c3-2(4)1-5(6)7/h1H,3-4H2
• InChIKey: QPRATAOCXWOIPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-nitroethene-1,1-diamine
• IUPAC Traditional name: 2-nitroethene-1,1-diamine
• Synonyms: 2-nitroethylene-1,1-diamine

Database IDs

• CAS Number: 71090-35-2
• MDL Number: MFCD09753476

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0535506
• LogD (pH = 7.4): -1.0531883
• Log P: -1.0531837
• Molar Refractivity: 31.8468 cm^3
• Polarizability: 8.522006 Å^3
• Polar Surface Area: 95.18 Å^2