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Home > Other Heterocycles > 72952-82-0
72952-82-0 | 1,5,8,12-Tetraazabicyclo[10.2.2]hexadecane
CAS No: 72952-82-0 Catalog No: AG005YSV MDL No:
Product Description
Catalog Number:
AG005YSV
Chemical Name:
1,5,8,12-Tetraazabicyclo[10.2.2]hexadecane
CAS Number:
72952-82-0
Molecular Formula:
C12H26N4
Molecular Weight:
226.3616
IUPAC Name:
1,5,8,12-tetrazabicyclo[10.2.2]hexadecane
InChI:
InChI=1S/C12H26N4/c1-3-13-5-6-14-4-2-8-16-11-9-15(7-1)10-12-16/h13-14H,1-12H2
InChI Key:
TWMXRTUIOCTFNL-UHFFFAOYSA-N
SMILES:
N1CCNCCCN2CCN(CCC1)CC2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.216g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.368g/mol
Monoisotopic Mass:
226.216g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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