2-amino-5-methoxyphenol hydrochloride

• ChemBase ID: 294288
• Molecular Formular: C7H10ClNO2
• Molecular Mass: 175.6128
• Monoisotopic Mass: 175.04000625
• SMILES: Cl.COc1cc(O)c(N)cc1
• Canonical SMILES: COc1ccc(c(c1)O)N.Cl
• InChI: InChI=1S/C7H9NO2.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4,9H,8H2,1H3;1H
• InChIKey: ZXJIQOBYRBTOLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 39547-15-4
• MDL Number: MFCD00052002
• PubChem SID: 180679819
• PubChem CID: 12210184

CALCULATED PROPERTIES

• Acid pKa: 10.193602
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.53573203
• LogD (pH = 7.4): 0.67991364
• Log P: 0.6830833
• Molar Refractivity: 39.2025 cm^3
• Polarizability: 14.596205 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%