4-(Dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-methylphenyl]-1-butanol hydrochloride (1:1) | CAS No. 717133-25-0

4-(Dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-methylphenyl]-1-butanol hydrochloride (1:1)

Basic Information

CAS Number

717133-25-0

Molecular Formula

C20H27ClFNO2

Molecular Weight

367.89 g/mol

AD

Basic Physical Properties

CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O.Cl

InChI

InChI=1S/C20H26FNO2.ClH/c1-15-5-10-19(16(13-15)14-23)20(24,11-4-12-22(2)3)17-6-8-18(21)9-7-17;/h5-10,13,23-24H,4,11-12,14H2,1-3H3;1H

InChIKey

GIINVBVUYCAKGI-UHFFFAOYSA-N

LogP

3.6259200000000034

Topological Polar Surface Area

43.7 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

456

Synonyms & References

English

  • SB82876
  • FT-0652981
  • C20H24ClFN2O2
  • UNII-CL7Y6W18S5
  • DTXSID70657742
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrochloride
  • 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrilehydrochloride
  • Q27275516
  • 717133-25-0
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrilehydrochloride
  • 4-(4-(dimethylamino)-1-(4'-fluorophenyl)-1-hydroxy-butyl)-3-(hydroxymethyl)benzonitrile hcl
  • 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-oxidanyl-butyl]-3-(hydroxymethyl)benzenecarbonitrile hydrochloride
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile--hydrogen chloride (1/1)
  • 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrochloride
  • Citadiol hydrochloride
  • A837302
  • 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-butyl)-3-(hydroxymethyl)benzonitrile hydrochloride
  • Benzonitrile, 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)-, hydrochloride (1:1)
  • 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrochloride
  • AKOS015900617
  • CL7Y6W18S5
  • 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;hydrochloride
  • 4-[4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXYBUTYL]-3-(HYDROXYMETHYL)BENZONITRILE HYDROCHLORIDE
  • Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, hydrochloride
  • 3-hydroxylmethyl-4-[1-(4-fluorophenyl)-1-hydroxyl-4-(dimethylamino)]butylbenzonitrile hydrochloride
  • AG-A-70486
  • AK-98822
  • ANW-60472
  • CTK2I1076
  • KB-36014
  • Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, monohydrochloride(9CI)

MDL Number

MFCD10000612

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 4-(Dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-methylphenyl]-1-butanol hydrochloride (CAS: 717133-25-0)?

This compound is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labelling. It must comply with REACH regulations for substances manufactured or imported into the EU. In the US, it is subject to FDA and EPA regulations for chemical use and disposal. Additional local regulations may apply.

Are there alternatives to 4-(Dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-methylphenyl]-1-butanol hydrochloride (CAS: 717133-25-0) in synthesis?

Alternatives may include structurally similar compounds such as 4-(dimethylamino)-1-(phenyl)-1-[2-(hydroxymethyl)-4-methylphenyl]-1-butanol or its isomers. Common alternative reagents include other amines or different fluorinated phenols, depending on the specific reaction conditions and desired product.

What is the market or research trend for 4-(Dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-methylphenyl]-1-butanol hydrochloride (CAS: 717133-25-0)?

The compound is primarily used in medicinal chemistry due to its potential as a bioactive molecule. Market trends show increasing research interest in its pharmacological applications. Recent research focuses on its efficacy in treating various diseases, with a growing demand for related compounds in drug discovery and development.

How should waste containing 4-(Dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-methylphenyl]-1-butanol hydrochloride (CAS: 717133-25-0) be handled?

Waste should be collected in sealed, non-leaking containers and stored in a cool, well-ventilated area. Incineration is a suitable method for disposing of the waste, provided it is done in a properly equipped facility. For professional disposal, contact a hazardous waste management company to ensure compliance with local regulations and environmental protection standards.

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