5-chloro-2-ethoxyaniline

• ChemBase ID: 18069
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: c1(cc(ccc1OCC)Cl)N
• Canonical SMILES: CCOc1ccc(cc1N)Cl
• InChI: InChI=1S/C8H10ClNO/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2,10H2,1H3
• InChIKey: UZEGGYTUIIXOIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-ethoxyaniline
• IUPAC Traditional name: 5-chloro-2-ethoxyaniline
• Synonyms: 5-chloro-2-ethoxyaniline; 5-Chloro-2-ethoxy-phenylamine

Database IDs

• CAS Number: 15793-48-3
• MDL Number: MFCD07791193
• PubChem SID: 160981376
• PubChem CID: 410076

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9435662
• LogD (pH = 7.4): 1.9474515
• Log P: 1.9475012
• Molar Refractivity: 46.775 cm^3
• Polarizability: 17.694593 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.554

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%