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Home > Other Heterocycles > 137158-23-7
137158-23-7 | 13,13'-Bi-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CAS No: 137158-23-7 Catalog No: AG0012VN MDL No:
Product Description
Catalog Number:
AG0012VN
Chemical Name:
13,13'-Bi-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CAS Number:
137158-23-7
Molecular Formula:
C22H40N8
Molecular Weight:
416.6066
IUPAC Name:
13-(3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-yl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene
InChI:
InChI=1S/C22H34N8/c1-5-25-13-19-9-17(10-20(29-19)14-26-6-2-23-1)18-11-21-15-27-7-3-24-4-8-28-16-22(12-18)30-21/h9-12,23-28H,1-8,13-16H2
InChI Key:
SECBONCMERDMSO-UHFFFAOYSA-N
SMILES:
N1CCNCC2NC(CNCC1)CC(C2)c1cc2CNCCNCCNCc(c1)n2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.291g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
410.57g/mol
Monoisotopic Mass:
410.291g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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