2-amino-6-methoxyphenol hydrochloride

• ChemBase ID: 247749
• Molecular Formular: C7H10ClNO2
• Molecular Mass: 175.6128
• Monoisotopic Mass: 175.04000625
• SMILES: c1(c(N)cccc1OC)O.Cl
• Canonical SMILES: COc1cccc(c1O)N.Cl
• InChI: InChI=1S/C7H9NO2.ClH/c1-10-6-4-2-3-5(8)7(6)9;/h2-4,9H,8H2,1H3;1H
• InChIKey: GWXIGCZEXDVFDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-methoxyphenol hydrochloride
• IUPAC Traditional name: 2-amino-6-methoxyphenol hydrochloride
• Synonyms: 2-amino-6-methoxyphenol hydrochloride

Database IDs

• PubChem SID: 164303659
• PubChem CID: 18422352

CALCULATED PROPERTIES

• Acid pKa: 10.884943
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6651342
• LogD (pH = 7.4): 0.68270516
• Log P: 0.6830833
• Molar Refractivity: 39.2025 cm^3
• Polarizability: 14.598736 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 0.518

Product Information

• Purity: 95%