Cholamine Chloride Hydrochloride

Synopsis, Chemistry

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Also known as: 3399-67-5, 2-amino-n,n,n-trimethylethanaminium chloride hydrochloride, 2-aminoethyl(trimethyl)azanium;chloride;hydrochloride, Cholamine chloride hydrochloride, Ethanaminium, 2-amino-n,n,n-trimethyl-, chloride, hydrochloride, 2-aminoethyltrimethylammonium chloride hydrochloride

Molecular Formula

C₅H₁₆Cl₂N₂

Molecular Weight

175.10 g/mol

InChI Key

GJBYCNLSIBQCRF-UHFFFAOYSA-M

1 2D Structure

Cholamine Chloride Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-aminoethyl(trimethyl)azanium;chloride;hydrochloride

2.1.2 InChI

InChI=1S/C5H15N2.2ClH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-1

2.1.3 InChI Key

GJBYCNLSIBQCRF-UHFFFAOYSA-M

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3399-67-5

2. 2-amino-n,n,n-trimethylethanaminium Chloride Hydrochloride

3. 2-aminoethyl(trimethyl)azanium;chloride;hydrochloride

4. Cholamine Chloride Hydrochloride

5. Ethanaminium, 2-amino-n,n,n-trimethyl-, Chloride, Hydrochloride

6. 2-aminoethyltrimethylammonium Chloride Hydrochloride

7. 2-aminoethyl Trimethylammonium Chloride Hydrochloride

8. Cholaminchloride Hydrochloride

9. Schembl418025

10. Mfcd00012888

11. Akos015894840

12. As-70721

13. Db-048541

14. Cs-0204825

15. Ft-0634833

16. E85842

17. N1,n1,n1-trimethylethane-1,2-diaminium Chloride

18. J-019413

19. Q39047136

20. 2-amino-n,n,n-trimethylethanaminiumchloridehydrochloride

21. (2-aminoethyl)trimethylammonium Chloride Hydrochloride, 99%

22. (2-aminoethyl)trimethylazanium Hydrochloride Chloride

2.3 Create Date

2007-07-12

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₆Cl₂N₂
Molecular Weight	175.10 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	174.0690539 g/mol
Monoisotopic Mass	174.0690539 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	44.5
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	3