2-bromo-4,5-diethoxyaniline

• ChemBase ID: 262324
• Molecular Formular: C10H14BrNO2
• Molecular Mass: 260.12766
• Monoisotopic Mass: 259.02079069
• SMILES: c1c(c(cc(c1OCC)OCC)Br)N
• Canonical SMILES: CCOc1cc(Br)c(cc1OCC)N
• InChI: InChI=1S/C10H14BrNO2/c1-3-13-9-5-7(11)8(12)6-10(9)14-4-2/h5-6H,3-4,12H2,1-2H3
• InChIKey: WPDSDLICUNOIPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,5-diethoxyaniline
• IUPAC Traditional name: 2-bromo-4,5-diethoxyaniline
• Synonyms: 2-bromo-4,5-diethoxyaniline

Database IDs

• MDL Number: MFCD11206297
• PubChem SID: 164318234
• PubChem CID: 43152919

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3060908
• LogD (pH = 7.4): 2.3112793
• Log P: 2.3113458
• Molar Refractivity: 60.8048 cm^3
• Polarizability: 23.016846 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50 - 52°C
• Hydrophobicity(logP): 2.807

Product Information

• Purity: 95%