4-(dimethylamino)phenol hydrochloride

• ChemBase ID: 291849
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: Oc1ccc(N(C)C)cc1.Cl
• Canonical SMILES: CN(c1ccc(cc1)O)C.Cl
• InChI: InChI=1S/C8H11NO.ClH/c1-9(2)7-3-5-8(10)6-4-7;/h3-6,10H,1-2H3;1H
• InChIKey: FGBQWWREKHAJIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5882-48-4
• MDL Number: MFCD01707511
• PubChem SID: 180677380
• PubChem CID: 22173

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

Product Information

• Purity: 95+%; 98%