3-chloro-4-ethoxyaniline hydrochloride

• ChemBase ID: 20039
• Molecular Formular: C8H11Cl2NO
• Molecular Mass: 208.08504
• Monoisotopic Mass: 207.02176934
• SMILES: c1(cc(N)ccc1OCC)Cl.Cl
• Canonical SMILES: CCOc1ccc(cc1Cl)N.Cl
• InChI: InChI=1S/C8H10ClNO.ClH/c1-2-11-8-4-3-6(10)5-7(8)9;/h3-5H,2,10H2,1H3;1H
• InChIKey: QRNYSKLCAJBIRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-ethoxyaniline hydrochloride
• IUPAC Traditional name: 3-chloro-4-ethoxyaniline hydrochloride
• Synonyms: 3-Chloro-4-ethoxyaniline hydrochloride

Database IDs

• MDL Number: MFCD09800621
• PubChem SID: 160983346
• PubChem CID: 45075250

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9210916
• LogD (pH = 7.4): 1.9471585
• Log P: 1.9475012
• Molar Refractivity: 46.775 cm^3
• Polarizability: 17.718733 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false