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Home > Other Heterocycles > 130701-19-8
130701-19-8 | 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane
CAS No: 130701-19-8 Catalog No: AG000UTV MDL No:
Product Description
Catalog Number:
AG000UTV
Chemical Name:
1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane
CAS Number:
130701-19-8
Molecular Formula:
C12H26N4
Molecular Weight:
226.3616
IUPAC Name:
1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
InChI:
InChI=1S/C12H26N4/c1-3-13-5-10-16-8-2-4-14-6-9-15(7-1)11-12-16/h13-14H,1-12H2
InChI Key:
OBBKVQRWBGOVCF-UHFFFAOYSA-N
SMILES:
N1CCCN2CCNCCCN(CC1)CC2
NSC Number:
708807
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.216g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.368g/mol
Monoisotopic Mass:
226.216g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Radiolabeling and in vivo behavior of copper-64-labeled cross-bridged cyclam ligands. | Journal of medicinal chemistry 20020117 |
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