2-amino-4-ethylphenol

• ChemBase ID: 55922
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(ccc(c1)CC)O)N
• Canonical SMILES: CCc1ccc(c(c1)N)O
• InChI: InChI=1S/C8H11NO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3
• InChIKey: LUKYIMOTPSTGQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-ethylphenol
• IUPAC Traditional name: 2-amino-4-ethylphenol
• Synonyms: 2-Amino-4-ethylphenol

Database IDs

• CAS Number: 94109-11-2
• MDL Number: MFCD00051708
• PubChem SID: 162060685
• PubChem CID: 721885

CALCULATED PROPERTIES

• Acid pKa: 10.654335
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7320329
• LogD (pH = 7.4): 1.7975403
• Log P: 1.7987446
• Molar Refractivity: 42.3815 cm^3
• Polarizability: 15.678557 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false