CAS 189033-35-0 | 1H-1,4,7-Triazonine, 1,1'-[1,3-phenylenebis(methylene)]bis[octahydro- | CAS Number 189033-35-0

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189033-35-0 | 1H-1,4,7-Triazonine, 1,1'-[1,3-phenylenebis(methylene)]bis[octahydro-

CAS No: 189033-35-0 Catalog No: AG002HRF MDL No:

Product Description

Catalog Number:

AG002HRF

Chemical Name:

1H-1,4,7-Triazonine, 1,1'-[1,3-phenylenebis(methylene)]bis[octahydro-

CAS Number:

189033-35-0

Molecular Formula:

C20H36N6

Molecular Weight:

360.5400

IUPAC Name:

1-[[3-(1,4,7-triazonan-1-ylmethyl)phenyl]methyl]-1,4,7-triazonane

InChI:

InChI=1S/C20H36N6/c1-2-19(17-25-12-8-21-4-5-22-9-13-25)16-20(3-1)18-26-14-10-23-6-7-24-11-15-26/h1-3,16,21-24H,4-15,17-18H2

InChI Key:

YEZOLEPJWZHLMN-UHFFFAOYSA-N

SMILES:

N1CCN(CCNCC1)Cc1cccc(c1)CN1CCNCCNCC1

Properties

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.3g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.55g/mol

Monoisotopic Mass:

360.3g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
Cooperativity between metal ions in the cleavage of phosphate diesters and RNA by dinuclear Zn(II) catalysts.	Inorganic chemistry 20031201
Binuclear copper(II) complexes of xylyl-bridged bis(1,4,7-triazacyclononane) ligands.	Inorganic chemistry 20030908