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Home > Other Building Blocks > 125262-43-3
125262-43-3 | 1H-1,4,7-Triazonine, octahydro-1,4,7-tris(phenylmethyl)-
CAS No: 125262-43-3 Catalog No: AG000NET MDL No:MFCD26391018
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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.267g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.582g/mol
Monoisotopic Mass:
399.267g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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