4-(dimethylamino)phenol

• ChemBase ID: 125428
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: Oc1ccc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cc1)O)C
• InChI: InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
• InChIKey: JVVRCYWZTJLJSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylamino)phenol
• IUPAC Traditional name: 4-dimethylaminophenol
• Synonyms: 4-Dimethylaminophenol; 4-(Dimethylamino)phenol

Database IDs

• CAS Number: 619-60-3
• MDL Number: MFCD01707548
• PubChem SID: 162219778
• PubChem CID: 22174
• ATC CODE: V03AB27
• Chemspider ID: 20816
• Unique Ingredient Identifier: X387L5559O
• Wikipedia Title: 4-Dimethylaminophenol

CALCULATED PROPERTIES

• Acid pKa: 10.329645
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2213523
• LogD (pH = 7.4): 1.762263
• Log P: 1.7777244
• Molar Refractivity: 42.4675 cm^3
• Polarizability: 15.7546625 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 165 °C (0.040 bar)

Product Information

• Purity: 95+%; 97%