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Home > Other Heterocycles > 666845-48-3
666845-48-3 | 1,4,8,11-Tetraazabicyclo[9.5.2]octadecane
CAS No: 666845-48-3 Catalog No: AG006ISG MDL No:
Product Description
Catalog Number:
AG006ISG
Chemical Name:
1,4,8,11-Tetraazabicyclo[9.5.2]octadecane
CAS Number:
666845-48-3
Molecular Formula:
C14H30N4
Molecular Weight:
254.4148
IUPAC Name:
1,4,8,11-tetrazabicyclo[9.5.2]octadecane
InChI:
InChI=1S/C14H30N4/c1-2-9-17-11-7-15-5-4-6-16-8-12-18(10-3-1)14-13-17/h15-16H,1-14H2
InChI Key:
WMQLBBDUGAKHRQ-UHFFFAOYSA-N
SMILES:
C1CNCCN2CCCCCN(CCNC1)CC2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.247g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.422g/mol
Monoisotopic Mass:
254.247g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| The first structurally characterised perchlorato-cobalt(III) complexes, involving the C-bonded macrobicyclic ligand 1,4,8,11-tetraazabicyclo[9.5.2]octadecane. | Chemical communications (Cambridge, England) 20030921 |
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