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Home > Other Heterocycles > 19757-27-8

19757-27-8

19757-27-8 | 1,11-Diazabicyclo[9.9.9]nonacosane (8CI,9CI)

CAS No: 19757-27-8 Catalog No: AG002AWS MDL No:

Product Description

Catalog Number:
AG002AWS
Chemical Name:
1,11-Diazabicyclo[9.9.9]nonacosane (8CI,9CI)
CAS Number:
19757-27-8
Molecular Formula:
C27H54N2
Molecular Weight:
406.7311
IUPAC Name:
1,11-diazabicyclo[9.9.9]nonacosane
InChI:
InChI=1S/C27H54N2/c1-4-10-16-22-28-24-18-12-6-2-7-13-19-25-29(23-17-11-5-1)27-21-15-9-3-8-14-20-26-28/h1-27H2
InChI Key:
FXXCKCVFJMLVDF-UHFFFAOYSA-N
SMILES:
C1CCCCN2CCCCCCCCCN(CCCC1)CCCCCCCCC2

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.429g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.743g/mol
Monoisotopic Mass:
406.429g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9  

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