2-ethoxy-4-nitroaniline

• ChemBase ID: 112530
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: CCOc1cc(ccc1N)[N+](=O)[O-]
• Canonical SMILES: CCOc1cc(ccc1N)[N+](=O)[O-]
• InChI: InChI=1S/C8H10N2O3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2,9H2,1H3
• InChIKey: OWRHDQKCCXTFFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-4-nitroaniline
• IUPAC Traditional name: 2-ethoxy-4-nitroaniline
• Synonyms: 2-ETHOXY-4-NITROANILINE TECHNICAL GRADE

Database IDs

• CAS Number: 16383-89-4
• PubChem SID: 162097425
• PubChem CID: 85386

CALCULATED PROPERTIES

• Acid pKa: 18.385212
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.283424
• LogD (pH = 7.4): 1.2834405
• Log P: 1.2834407
• Molar Refractivity: 49.2949 cm^3
• Polarizability: 17.73988 Å^3
• Polar Surface Area: 81.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Grade: TECHNICAL

DETAILS

MP Biomedicals - 05224535

MP Biomedicals Rare Chemical collection