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Home > Other Heterocycles > 99269-13-3
99269-13-3 | 1,4,10,13,16,22,27,33-Octaazabicyclo[11.11.11]pentatriacontane
CAS No: 99269-13-3 Catalog No: AG006ONJ MDL No:
Product Description
Catalog Number:
AG006ONJ
Chemical Name:
1,4,10,13,16,22,27,33-Octaazabicyclo[11.11.11]pentatriacontane
CAS Number:
99269-13-3
Molecular Formula:
C27H60N8
Molecular Weight:
496.8189
IUPAC Name:
1,4,10,13,16,22,27,33-octazabicyclo[11.11.11]pentatriacontane
InChI:
InChI=1S/C27H60N8/c1-4-10-28-16-22-34-24-18-30-12-6-2-7-13-31-19-25-35(23-17-29-11-5-1)27-21-33-15-9-3-8-14-32-20-26-34/h28-33H,1-27H2
InChI Key:
CTMFSXXHVGDPMH-UHFFFAOYSA-N
SMILES:
C1CCCNCCN2CCNCCCCCNCCN(CCNC1)CCNCCCCCNCC2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.494g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
496.833g/mol
Monoisotopic Mass:
496.494g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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