Cas no 7003-89-6 ((2-Chloroethyl)trimethylammonium)

(2-Chloroethyl)trimethylammonium structure
7003-89-6 structure
Product Name:(2-Chloroethyl)trimethylammonium
CAS No:7003-89-6
MF:C5H13ClN
MW:122.616420507431
CID:95355
PubChem ID:13837
Update Time:2025-04-18

(2-Chloroethyl)trimethylammonium Chemical and Physical Properties

Names and Identifiers

    • (2-Chloroethyl)trimethylammonium
    • 2-chloroethyl(trimethyl)azanium
    • CHLORMEQUAT,HIGH PURE
    • 2-chloroethyl(trimethyl)ammonium
    • 2-chloroethyltrimethylammonium ion
    • 2-chloro-N,N,N-trimethylethan-1-aminium
    • 2-chloro-N,N,N-trimethylethanaminium
    • Chlorcholin
    • Chlorcholine
    • Chlormequat
    • Chlormequat [BSI:ISO]
    • Chlorocholine
    • Trimethyl-(2-chlor-aethyl)-ammonium
    • NCGC00166057-02
    • 8SUZ1123XX
    • DTXSID4048064
    • Q423860
    • NCGC00166057-01
    • CHEMBL118539
    • Ethanaminium, 2-chloro-N,N,N-trimethyl-
    • CHEBI:81850
    • NS00010002
    • BDBM50055170
    • 7003-89-6
    • C18585
    • InChI=1/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+
    • CHEMBL341956
    • trimethyl-(2-chloroethyl)-ammonium
    • CHLORMEQUAT [ISO]
    • Antywylegacz
    • Chlorcholinchloride
    • SCHEMBL22644
    • (beta-chloroethyl)trimethylammonium
    • trimethyl-(beta-chloroethyl)-ammonium
    • (2-Chloro-ethyl)-trimethyl-ammonium; chloride
    • UNII-8SUZ1123XX
    • Cyclocel
    • Chloride, Chlormequat
    • Inchi: 1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
    • InChI Key: JUZXDNPBRPUIOR-UHFFFAOYSA-N
    • SMILES: ClCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 122.07400
  • Monoisotopic Mass: 122.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 46.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0A^2
  • XLogP3: 0.9

Experimental Properties

  • Melting Point: 239 deg C (decomposes)
  • PSA: 0.00000
  • LogP: 0.93140
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