3-chloro-2-(2-ethoxyethoxy)aniline

• ChemBase ID: 19563
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: c1(c(N)cccc1Cl)OCCOCC
• Canonical SMILES: CCOCCOc1c(N)cccc1Cl
• InChI: InChI=1S/C10H14ClNO2/c1-2-13-6-7-14-10-8(11)4-3-5-9(10)12/h3-5H,2,6-7,12H2,1H3
• InChIKey: CCKMPCVBIDIVIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-(2-ethoxyethoxy)aniline
• IUPAC Traditional name: 3-chloro-2-(2-ethoxyethoxy)aniline
• Synonyms: 3-Chloro-2-(2-ethoxyethoxy)aniline

Database IDs

• MDL Number: MFCD08687290
• PubChem SID: 160982870
• PubChem CID: 26189147

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8941896
• LogD (pH = 7.4): 1.9004453
• Log P: 1.9005257
• Molar Refractivity: 57.8185 cm^3
• Polarizability: 22.108656 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C; 69-70°C
• Hydrophobicity(logP): 2.157

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%