Chlormequat chloride - ≥98% , CAS No.999-81-5

CAS: 999-81-5 Cat. No.: C113520 Formule: C₅H₁₃Cl₂N Poids moléculaire: 158.07 Beilstein Registry Number: 3563994 Numéro CE: 213-666-4 PubChem CID: 13836

GRADE & PURITY ≥98%

Synonyms

CCC Plant growth regulant | Chlorcholine chloride | CHLORMEQUAT CHLORIDE [HSDB] | Farmacel | 2-Chloraethyl-trimethylammoniumchlorid | 2-Chloro-N,N,N-trimethylethanaminium chloride | Barleyquat B | EINECS 213-666-4 | UNII-PPL2215L82 | Ammonium, (2-chloroet

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

CCC Plant growth regulant | Chlorcholine chloride | CHLORMEQUAT CHLORIDE [HSDB] | Farmacel | 2-Chloraethyl-trimethylammoniumchlorid | 2-Chloro-N,N,N-trimethylethanaminium chloride | Barleyquat B | EINECS 213-666-4 | UNII-PPL2215L82 | Ammonium, (2-chloroet

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508814222
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508814222
• Sourires canoniques: C[N+](C)(C)CCCl.[Cl-]
• IUPAC Name: 2-chloroethyl(trimethyl)azanium;chloride
• InChIKey: UHZZMRAGKVHANO-UHFFFAOYSA-M
• INCHI: 1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
• Isomères SMILES: C[N+](C)(C)CCCl.[Cl-]
• WGK Allemagne: 3
• RTECS: BP5250000
• PubChem CID: 13836
• Numéro ONU: 2811
• Groupe d'emballage: I
• Poids moléculaire: 158.07
• Beilstein: 3563994

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Amines Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility in water: Completely soluble; Degree of Solubility in water: 740 g/l 20 °C; Soluble in Methanol; Insoluble in Ether
• Sensibilité: Hygroscopic
• Point de fusion (°C): 239-243°C
• Poids moléculaire: 158.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 157.043 Da
• Monoisotopic Mass: 157.043 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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