2-amino-5-ethylphenol hydrochloride

• ChemBase ID: 291199
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: Oc1cc(CC)ccc1N.Cl
• Canonical SMILES: CCc1ccc(c(c1)O)N.Cl
• InChI: InChI=1S/C8H11NO.ClH/c1-2-6-3-4-7(9)8(10)5-6;/h3-5,10H,2,9H2,1H3;1H
• InChIKey: SZAJCDAIQPZDSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-ethylphenol hydrochloride
• IUPAC Traditional name: 2-amino-5-ethylphenol hydrochloride
• Synonyms: 2-Amino-5-ethylphenol hydrochloride

Database IDs

• CAS Number: 149861-22-3
• MDL Number: MFCD13181598
• PubChem SID: 180676730
• PubChem CID: 19761805

CALCULATED PROPERTIES

• Acid pKa: 10.408845
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.70378
• LogD (pH = 7.4): 1.7968473
• Log P: 1.7987446
• Molar Refractivity: 42.3815 cm^3
• Polarizability: 15.678352 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%