dimethyl(2-nitroethenyl)amine

• ChemBase ID: 815811
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: C(=C[N+](=O)[O-])N(C)C
• Canonical SMILES: CN(C=C[N+](=O)[O-])C
• InChI: InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3
• InChIKey: JKOVQYWMFZTKMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-nitroethenyl)amine
• IUPAC Traditional name: dimethyl(2-nitroethenyl)amine
• Synonyms: 1-DIMETHYLAMINO-2-NITROETHYLENE

Database IDs

• CAS Number: 1190-92-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.11538854
• LogD (pH = 7.4): 0.12146595
• Log P: 0.12154399
• Molar Refractivity: 28.9801 cm^3
• Polarizability: 10.9636965 Å^3
• Polar Surface Area: 46.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%