2-ethoxy-4-methylaniline

• ChemBase ID: 19882
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(c(ccc(c1)C)N)OCC
• Canonical SMILES: CCOc1cc(C)ccc1N
• InChI: InChI=1S/C9H13NO/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3,10H2,1-2H3
• InChIKey: QINJFUHLZDSQIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-4-methylaniline
• IUPAC Traditional name: 2-ethoxy-4-methylaniline
• Synonyms: 2-Ethoxy-4-methylaniline

Database IDs

• CAS Number: 23385-44-6
• MDL Number: MFCD08687710
• PubChem SID: 160983189
• PubChem CID: 24706534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7745254
• LogD (pH = 7.4): 1.8557365
• Log P: 1.8568779
• Molar Refractivity: 47.0114 cm^3
• Polarizability: 17.596317 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.212

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%