Cas no 7003-89-6 ((2-Chloroethyl)trimethylammonium)
7003-89-6 structure
Product Name:(2-Chloroethyl)trimethylammonium
(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
(2-Chloroethyl)trimethylammonium Related Literature
-
James R. Startin,Simon J. Hird,Mark D. Sykes,John C. Taylor,Alan R. C. Hill Analyst 1999 124 1011
-
Jieying Gao,Jian Wang,Ming Zuo,Li Ma,Yue Cui,Ting Yang,Min Ding RSC Adv. 2015 5 5895
-
Susanne Minkus,Stefan Bieber,Thomas Letzel Anal. Methods 2021 13 2044
-
Wei Liu,Dandan He,Yudan Zhu,Xuemei Cheng,Hao Xu,Yongli Wang,Shuping Li,Bo Jiang,Zhengtao Wang,Changhong Wang RSC Adv. 2015 5 78336
-
Wenfeng Zhao,Xiaoping Chi,Hu Li,Jian He,Jingxuan Long,Yufei Xu,Song Yang Green Chem. 2019 21 567
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