ChemSpider 2D Image | benzethonium chloride | C27H42ClNO2

benzethonium chloride

  • Molecular FormulaC27H42ClNO2
  • Average mass448.081 Da
  • Monoisotopic mass447.290405 Da
  • ChemSpider ID8165
  • Charge - Charge


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride
1170
121-54-0 [RN]
204-479-9 [EINECS]
Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride
Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1) [ACD/Index Name]
Benzethonii chloridum [Latin] [INN]
benzethonium chloride [BAN] [INN] [JAN] [USAN] [Wiki]
Benzyldimethyl[2-[2-(p-1,1,3,3-tetramethylbutylphenoxy)ethoxy]ethyl]ammonium Chloride
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00011742 [DBID]
51126_FLUKA [DBID]
53751_FLUKA [DBID]
70585_FLUKA [DBID]
B8879_SIGMA [DBID]
Caswell No. 614B [DBID]
CCRIS 4748 [DBID]
D01140 [DBID]
EPA Pesticide Chemical Code 069154 [DBID]
HSDB 567 [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      white crystalline powder Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable, but hygroscopic. Incompatible with strong oxidizing agents, soap, anionic detergents,nitrates, acids. Light sensitive. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 420 mg kg-1, SCU-RAT LD50 119 mg kg-1, IPR-RAT LD50 16 mg kg-1, ORL-MUS LD50 338 mg kg-1, IVN-MUS LD50 30 mg kg-1, IPR-MUS LD50 15 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      20-26-36/37/39-45-57-60 Alfa Aesar A16142
      22-34-50/53 Alfa Aesar A16142
      26-36/37/39-45-57 Alfa Aesar A16142
      8 Alfa Aesar A16142
      Danger Alfa Aesar A16142
      Danger Biosynth J-200196, J-200296
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar A16142
      GHS05; GHS06; GHS09 Biosynth J-200196, J-200296
      GHS06; GHS09 Biosynth J-200196, J-200296
      H300; H317; H331; H411 Biosynth J-200196, J-200296
      H301; H314; H410 Biosynth J-200196, J-200296
      H314-H400-H410-H302 Alfa Aesar A16142
      P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501a Alfa Aesar A16142
      P261; P264; P273; P280; P301+P310; P311 Biosynth J-200196, J-200296
      P273; P280; P301+P310; P305+P351+P338; P310; P501 Biosynth J-200196, J-200296
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Xn,N Abblis Chemicals AB1011453
    • Target Organs:

      AChR antagonist TargetMol T0401
    • Chemical Class:

      A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[<ital>p</ital>-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses. ChEBI CHEBI:31264
      A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride ; as the coun ter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31264
    • Compound Source:

      synthetic Microsource [01500138]
    • Bio Activity:

      ??4??2 nAChRs, ??7 nAChRs TargetMol T0401
      AChE MedChem Express HY-B0942
      Benzethonium chloride inhibit human recombinant ?7 and ?4?2 neuronal nicotinic acetylcholine receptors in Xenopus oocytes. MedChem Express HY-B0942
      Neuronal Signaling MedChem Express HY-B0942
      Neuronal Signaling; MedChem Express HY-B0942
      Neuroscience TargetMol T0401

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site






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