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Home > Other Heterocycles > 102363-19-9
102363-19-9 | 3,7,11,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CAS No: 102363-19-9 Catalog No: AG00079V MDL No:
Product Description
Catalog Number:
AG00079V
Chemical Name:
3,7,11,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CAS Number:
102363-19-9
Molecular Formula:
C13H22N4
Molecular Weight:
234.3406
IUPAC Name:
3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
InChI:
InChI=1S/C13H22N4/c1-4-12-10-15-8-2-6-14-7-3-9-16-11-13(5-1)17-12/h1,4-5,14-16H,2-3,6-11H2
InChI Key:
WPDDXLXLHUKSGP-UHFFFAOYSA-N
SMILES:
C1CCNCCCNCc2nc(CN1)ccc2
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:
3
Isotope Atom Count:
0
Molecular Weight:
234.347g/mol
Monoisotopic Mass:
234.184g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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