CAS 306971-02-8 | 1,5-Diazocine, octahydro-1,5-bis(2-pyridinylmethyl)- | CAS Number 306971-02-8

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306971-02-8 | 1,5-Diazocine, octahydro-1,5-bis(2-pyridinylmethyl)-

CAS No: 306971-02-8 Catalog No: AG0030ZK MDL No:

Product Description

Catalog Number:

AG0030ZK

Chemical Name:

1,5-Diazocine, octahydro-1,5-bis(2-pyridinylmethyl)-

CAS Number:

306971-02-8

Molecular Formula:

C18H24N4

Molecular Weight:

296.4100

IUPAC Name:

1,5-bis(pyridin-2-ylmethyl)-1,5-diazocane

InChI:

InChI=1S/C18H24N4/c1-3-9-19-17(7-1)15-21-11-5-13-22(14-6-12-21)16-18-8-2-4-10-20-18/h1-4,7-10H,5-6,11-16H2

InChI Key:

HDSHPGCCPDIDTD-UHFFFAOYSA-N

SMILES:

C1CN(CCCN(C1)Cc1ccccn1)Cc1ccccn1

Properties

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.418g/mol

Monoisotopic Mass:

296.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Intramolecular gas-phase reactions of synthetic nonheme oxoiron(IV) ions: proximity and spin-state reactivity rules.	Chemistry (Weinheim an der Bergstrasse, Germany) 20120910
Electronic structure control of the nucleophilicity of transition metal-thiolate complexes: an experimental and theoretical study.	Journal of the American Chemical Society 20040623