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CAS 892-75-1

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Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-, hydrochloride (1:1)

Description:
Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-, hydrochloride (1:1), commonly referred to as a quaternary ammonium compound, is characterized by its phenolic structure, which includes a dimethylamino group and two bulky tert-butyl substituents. This compound typically appears as a white to off-white crystalline solid and is soluble in water due to the presence of the hydrochloride salt form. Its molecular structure contributes to its potential applications in various fields, including pharmaceuticals and as a reagent in organic synthesis. The dimethylamino group enhances its basicity and reactivity, while the bulky tert-butyl groups provide steric hindrance, influencing its interaction with biological systems. Additionally, this compound may exhibit antimicrobial properties, making it of interest in medicinal chemistry. Safety considerations should be taken into account, as phenolic compounds can be toxic and irritative. Proper handling and storage conditions are essential to ensure safety in laboratory and industrial settings.
Formula:C17H29NO·ClH
InChI:InChI=1S/C17H29NO.ClH/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6;/h9-10,19H,11H2,1-8H3;1H
InChI key:InChIKey=XPUBCCUJVHXZCV-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=C(O)C(C(C)(C)C)=CC(CN(C)C)=C1.Cl
Synonyms:
  • p-Cresol, 2,6-di-tert-butyl-α-(dimethylamino)-, hydrochloride
  • Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-, hydrochloride (1:1)
  • Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-, hydrochloride
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