2-(dimethylamino)phenol

• ChemBase ID: 288798
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: CN(C)c1c(O)cccc1
• Canonical SMILES: CN(c1ccccc1O)C
• InChI: InChI=1S/C8H11NO/c1-9(2)7-5-3-4-6-8(7)10/h3-6,10H,1-2H3
• InChIKey: AUABZJZJXPSZCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)phenol
• IUPAC Traditional name: 2-(dimethylamino)phenol
• Synonyms: 2-Dimethylaminophenol

Database IDs

• CAS Number: 3743-22-4
• MDL Number: MFCD09965948
• PubChem SID: 180674329
• PubChem CID: 459235

CALCULATED PROPERTIES

• Acid pKa: 10.234605
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7680459
• LogD (pH = 7.4): 1.7769337
• Log P: 1.7777244
• Molar Refractivity: 42.4675 cm^3
• Polarizability: 15.756826 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%