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Home > Other Heterocycles > 1000269-68-0
1000269-68-0 | 2,6,9,13-TETRAAZABICYCLO[12.3.1]OCTADECA-1(18),14,16-TRIENE
CAS No: 1000269-68-0 Catalog No: AG0000BT MDL No:
Product Description
Catalog Number:
AG0000BT
Chemical Name:
2,6,9,13-TETRAAZABICYCLO[12.3.1]OCTADECA-1(18),14,16-TRIENE
CAS Number:
1000269-68-0
Molecular Formula:
C14H24N4
Molecular Weight:
248.3672
IUPAC Name:
2,6,9,13-tetrazabicyclo[12.3.1]octadeca-1(18),14,16-triene
InChI:
InChI=1S/C14H24N4/c1-4-13-12-14(5-1)18-9-3-7-16-11-10-15-6-2-8-17-13/h1,4-5,12,15-18H,2-3,6-11H2
InChI Key:
LPSBXIFOSGHXJW-UHFFFAOYSA-N
SMILES:
C1CCNc2cccc(c2)NCCCNCCN1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.2g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
248.374g/mol
Monoisotopic Mass:
248.2g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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