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Home > Other Heterocycles > 117257-88-2
117257-88-2 | 1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane (9CI)
CAS No: 117257-88-2 Catalog No: AG000E0C MDL No:
Product Description
Catalog Number:
AG000E0C
Chemical Name:
1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane (9CI)
CAS Number:
117257-88-2
Molecular Formula:
C12H27N5
Molecular Weight:
241.3763
IUPAC Name:
1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
InChI:
InChI=1S/C12H27N5/c1-3-14-5-7-16-9-11-17(12-10-16)8-6-15-4-2-13-1/h13-15H,1-12H2
InChI Key:
RCVAPWJFQRVQMF-UHFFFAOYSA-N
SMILES:
N1CCNCCN2CCN(CCNCC1)CC2
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.227g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.383g/mol
Monoisotopic Mass:
241.227g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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