2-amino-4-methoxyphenol hydrochloride

• ChemBase ID: 24114
• Molecular Formular: C7H10ClNO2
• Molecular Mass: 175.6128
• Monoisotopic Mass: 175.04000625
• SMILES: c1(cc(ccc1O)OC)N.Cl
• Canonical SMILES: COc1ccc(c(c1)N)O.Cl
• InChI: InChI=1S/C7H9NO2.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,9H,8H2,1H3;1H
• InChIKey: YWKXUUGVLZIYEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methoxyphenol hydrochloride
• IUPAC Traditional name: 2-amino-4-methoxyphenol hydrochloride
• Synonyms: 2-Amino-4-methoxy-phenol hydrochloride

Database IDs

• MDL Number: MFCD09997653
• PubChem SID: 160987421
• PubChem CID: 3015618

CALCULATED PROPERTIES

• Acid pKa: 10.724214
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.67127806
• LogD (pH = 7.4): 0.68272
• Log P: 0.6830833
• Molar Refractivity: 39.2025 cm^3
• Polarizability: 14.596458 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false