Technical details about cholamine chloride hydrochloride, learn more about the structure, uses, toxicity, action, side effects and more

Also known as: (2-aminoethyl)trimethylammonium chloride hydrochloride, Cholaminchloride hydrochloride, Schembl418025, Cholamine chloride hydrochloride, 284556_aldrich, 06730_fluka
Molecular Formula
C5H16Cl2N2
Molecular Weight
175.09994  g/mol
InChI Key
GJBYCNLSIBQCRF-UHFFFAOYSA-M

1 2D Structure

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. (2-aminoethyl)trimethylammonium Chloride Hydrochloride

2. Cholaminchloride Hydrochloride

3. Schembl418025

4. Cholamine Chloride Hydrochloride

5. 284556_aldrich

6. 06730_fluka

7. Ctk8f1652

8. Akos015894840

9. Or137636

10. Db-048541

11. Trimethylammoniumchloridehydrochloride

12. Ft-0634833

13. 2-aminoethyltrimethylammoniumchloride Hydrochloride

14. 2-aminoethyl Trimethylammonium Chloride Hydrochloride

15. 2-aminoethyltrimethylammonium Chloride Hydrochloride

16. I05-2669

2.3 Create Date
2007-07-12
3 Chemical and Physical Properties
Molecular Weight 175.09994 g/mol
Molecular Formula C5H16Cl2N2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass174.069054 g/mol
Monoisotopic Mass174.069054 g/mol
Topological Polar Surface Area26 A^2
Heavy Atom Count9
Formal Charge0
Complexity44.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3