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Home > Other Heterocycles > 1000269-67-9
1000269-67-9 | 2,5,9,12-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CAS No: 1000269-67-9 Catalog No: AG0000BU MDL No:
Product Description
Catalog Number:
AG0000BU
Chemical Name:
2,5,9,12-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CAS Number:
1000269-67-9
Molecular Formula:
C13H22N4
Molecular Weight:
234.3406
IUPAC Name:
2,5,9,12-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
InChI:
InChI=1S/C13H22N4/c1-3-12-11-13(4-1)17-10-8-15-6-2-5-14-7-9-16-12/h1,3-4,11,14-17H,2,5-10H2
InChI Key:
NUWGGTFAJBJATB-UHFFFAOYSA-N
SMILES:
C1CNCCNc2cccc(NCCNC1)c2
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
234.347g/mol
Monoisotopic Mass:
234.184g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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