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Also known as: 58966-93-1, 1,4,7-triazonane trihydrochloride, 1,4,7-triazonane;trihydrochloride, 1h-1,4,7-triazonine, octahydro-, trihydrochloride, Octahydro-1h-1,4,7-triazonine trihydrochloride, Mfcd00074887
Molecular Formula
C6H18Cl3N3
Molecular Weight
238.6  g/mol
InChI Key
HNPMVNQYFPWBKI-UHFFFAOYSA-N

CAS 58966-93-1
1 2D Structure

CAS 58966-93-1

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 Weight 238.6 g/mol
Molecular Formula C6H18Cl3N3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass237.056631 g/mol
Monoisotopic Mass237.056631 g/mol
Topological Polar Surface Area36.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity45.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4

BUILDING BLOCK

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