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Home > Other Heterocycles > 90893-09-7
90893-09-7 | 1-Triazene, 1-bicyclo[2.2.2]oct-2-yl-3-phenyl-
CAS No: 90893-09-7 Catalog No: AG006TKR MDL No:
Product Description
Catalog Number:
AG006TKR
Chemical Name:
1-Triazene, 1-bicyclo[2.2.2]oct-2-yl-3-phenyl-
CAS Number:
90893-09-7
Molecular Formula:
C14H19N3
Molecular Weight:
229.3208
IUPAC Name:
N-(2-bicyclo[2.2.2]octanyldiazenyl)aniline
InChI:
InChI=1S/C14H19N3/c1-2-4-13(5-3-1)15-17-16-14-10-11-6-8-12(14)9-7-11/h1-5,11-12,14H,6-10H2,(H,15,16)
InChI Key:
BCYSDKQYGREGHU-UHFFFAOYSA-N
SMILES:
C1CC2CCC1C(C2)N=NNc1ccccc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.327g/mol
Monoisotopic Mass:
229.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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