1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,4,7-triazonane;trihydrochloride

2.1.2 InChI

InChI=1S/C6H15N3.3ClH/c1-2-8-5-6-9-4-3-7-1;;;/h7-9H,1-6H2;3*1H

2.1.3 InChI Key

HNPMVNQYFPWBKI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCNCCN1.Cl.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 58966-93-1

2. 1,4,7-triazonane Trihydrochloride

3. 1,4,7-triazonane;trihydrochloride

4. 1h-1,4,7-triazonine, Octahydro-, Trihydrochloride

5. Octahydro-1h-1,4,7-triazonine Trihydrochloride

6. Mfcd00074887

7. 1,4,7-triazonane Trihcl

8. 1,4,7-triazonanetrihydrochloride

9. Dtxsid30369319

10. (4-butyl-benzyl)-hydrazine

11. Amy38506

12. Bcp10134

13. Akos015845403

14. 1,4,7-triazacyclononane 3hcl

15. As-19124

16. Cs-0105719

17. T1600

18. 1,4,7-triazacyclononane Trihydrochloride, 97%

19. F19546

20. A827180

21. B2699-153380

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₈Cl₃N₃
Molecular Weight	238.6 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	237.056631 g/mol
Monoisotopic Mass	237.056631 g/mol
Topological Polar Surface Area	36.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	45.1
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	4

CAS 58966-93-1