4-chloro-2-ethylaniline

• ChemBase ID: 309404
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: c1(c(ccc(c1)Cl)N)CC
• Canonical SMILES: CCc1cc(Cl)ccc1N
• InChI: InChI=1S/C8H10ClN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3
• InChIKey: FRZVXNRFFMHYFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-ethylaniline
• IUPAC Traditional name: 4-chloro-2-ethylaniline
• Synonyms: (4-chloro-2-ethylphenyl)amine

Database IDs

• CAS Number: 30273-39-3
• MDL Number: MFCD01670148

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7030554
• LogD (pH = 7.4): 2.706313
• Log P: 2.7063546
• Molar Refractivity: 45.2054 cm^3
• Polarizability: 16.92117 Å^3
• Polar Surface Area: 26.02 Å^2