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CAS 3399-67-5
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

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
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