Tox21_300798

Synopsis, Chemistry

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Also known as: 10052-47-8, Triethylmethylammonium chloride, Methyltriethylammonium chloride, Ethanaminium, n,n-diethyl-n-methyl-, chloride, Triethyl(methyl)azanium;chloride, Triethylmethylammoniumchloride

Molecular Formula

C₇H₁₈ClN

Molecular Weight

151.68 g/mol

InChI Key

NIUZJTWSUGSWJI-UHFFFAOYSA-M

FDA UNII

Z0TK7K977Q

1 2D Structure

Tox21_300798

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

triethyl(methyl)azanium;chloride

2.1.2 InChI

InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

NIUZJTWSUGSWJI-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC[N+](C)(CC)CC.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

Z0TK7K977Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Triethylmethylammonium

2. Triethylmethylammonium Chloride

3. Triethylmethylammonium Iodide

2.3.2 Depositor-Supplied Synonyms

1. 10052-47-8

2. Triethylmethylammonium Chloride

3. Methyltriethylammonium Chloride

4. Ethanaminium, N,n-diethyl-n-methyl-, Chloride

5. Triethyl(methyl)azanium;chloride

6. Triethylmethylammoniumchloride

7. Ethanaminium, N,n-diethyl-n-methyl-, Chloride (1:1)

8. Z0tk7k977q

9. Methyl Triethyl Ammonium Chloride

10. Mfcd00059972

11. Unii-z0tk7k977q

12. Triethyl(methyl)azanium Chloride

13. Triethyl-methyl-azanium

14. Dsstox_cid_24498

15. Dsstox_rid_80272

16. Dsstox_gsid_44498

17. Schembl239689

18. Chembl3185389

19. Dtxsid0044498

20. Triethyl(methyl)ammonium Chloride

21. Triethyl Methyl Ammonium Chloride

22. Tox21_300798

23. Ac2499

24. Akos015833115

25. Ncgc00254702-01

26. As-12864

27. Sy017823

28. Ammonium, Triethylmethyl-, Chloride

29. Cas-10052-47-8

30. Db-050369

31. Cs-0153897

32. Ft-0655183

33. M0852

34. A800224

35. N-methyl-n,n,n-triethyl Ammonium Chloride

36. J-000158

37. J-525082

38. Q27294846

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₈ClN
Molecular Weight	151.68 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	151.1127773 g/mol
Monoisotopic Mass	151.1127773 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	47.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2