3-(methylamino)phenol

• ChemBase ID: 275675
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1c(NC)cccc1O
• Canonical SMILES: CNc1cccc(c1)O
• InChI: InChI=1S/C7H9NO/c1-8-6-3-2-4-7(9)5-6/h2-5,8-9H,1H3
• InChIKey: KLLOEOPUXBJSOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylamino)phenol
• IUPAC Traditional name: 3-(methylamino)phenol
• Synonyms: 3-(methylamino)phenol

Database IDs

• MDL Number: MFCD16998628
• PubChem SID: 164331585
• PubChem CID: 10820513

CALCULATED PROPERTIES

• Acid pKa: 9.801602
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1177995
• LogD (pH = 7.4): 1.1404173
• Log P: 1.1424587
• Molar Refractivity: 38.2327 cm^3
• Polarizability: 13.912822 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.974

Product Information

• Purity: 95%