CAS 306971-01-7 | 1H-1,4-Diazepine, hexahydro-1,4-bis(2-pyridinylmethyl)- | CAS Number 306971-01-7

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306971-01-7 | 1H-1,4-Diazepine, hexahydro-1,4-bis(2-pyridinylmethyl)-

CAS No: 306971-01-7 Catalog No: AG0030ZL MDL No:

Product Description

Catalog Number:

AG0030ZL

Chemical Name:

1H-1,4-Diazepine, hexahydro-1,4-bis(2-pyridinylmethyl)-

CAS Number:

306971-01-7

Molecular Formula:

C17H22N4

Molecular Weight:

282.3834

IUPAC Name:

1,4-bis(pyridin-2-ylmethyl)-1,4-diazepane

InChI:

InChI=1S/C17H22N4/c1-3-8-18-16(6-1)14-20-10-5-11-21(13-12-20)15-17-7-2-4-9-19-17/h1-4,6-9H,5,10-15H2

InChI Key:

VDJLFTNSFVEGCW-UHFFFAOYSA-N

SMILES:

C1CN(CCN(C1)Cc1ccccn1)Cc1ccccn1

Properties

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.184g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.391g/mol

Monoisotopic Mass:

282.184g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
A series of peroxomanganese(III) complexes supported by tetradentate aminopyridyl ligands: detailed spectroscopic and computational studies.	Journal of the American Chemical Society 20100303
Novel iron(III) complexes of sterically hindered 4N ligands: regioselectivity in biomimetic extradiol cleavage of catechols.	Inorganic chemistry 20080804