Name: Name:1H-1,4,7-Triazonine, octahydro-1,4,7-tris(phenylmethyl)-
Brand: Angene
SKU: AG000NET
Rating: 90 (10 reviews)

1H-1,4,7-Triazonine, octahydro-1,4,7-tris(phenylmethyl)-

CAS No.:

125262-43-3

Catalog Number:

AG000NET

Molecular Formula:

C27H33N3

Molecular Weight:

399.5710

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Purity

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Product Description

Catalog Number:

AG000NET

Chemical Name:

1H-1,4,7-Triazonine, octahydro-1,4,7-tris(phenylmethyl)-

CAS Number:

125262-43-3

Molecular Formula:

C27H33N3

Molecular Weight:

399.5710

MDL Number:

MFCD26391018

IUPAC Name:

1,4,7-tribenzyl-1,4,7-triazonane

InChI:

InChI=1S/C27H33N3/c1-4-10-25(11-5-1)22-28-16-18-29(23-26-12-6-2-7-13-26)20-21-30(19-17-28)24-27-14-8-3-9-15-27/h1-15H,16-24H2

InChI Key:

RZMJISBZZNJJSM-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)CN1CCN(CCN(CC1)Cc1ccccc1)Cc1ccccc1

Properties

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.267g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.582g/mol

Monoisotopic Mass:

399.267g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

9.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
A tetranuclear Cr(III)Ni(II)3 cyano-bridged complex based on M(tacn) derivative building blocks.	Inorganic chemistry 20051114