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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

CAS 3399-67-5
1 2D Structure

CAS 3399-67-5

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 Weight 175.10 g/mol
Molecular Formula C5H16Cl2N2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass174.0690539 g/mol
Monoisotopic Mass174.0690539 g/mol
Topological Polar Surface Area26 Ų
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

BUILDING BLOCK

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