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Home > Other Heterocycles > 198988-84-0
198988-84-0 | 2,5-Diazabicyclo[2.2.1]heptane, 2-phenyl-
CAS No: 198988-84-0 Catalog No: AG002BUS MDL No:
Product Description
Catalog Number:
AG002BUS
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-phenyl-
CAS Number:
198988-84-0
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
2-phenyl-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C11H14N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h1-5,9,11-12H,6-8H2
InChI Key:
GWYXZPLBADDTQS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CC2CC1CN2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Structure-activity studies and analgesic efficacy of N-(3-pyridinyl)-bridged bicyclic diamines, exceptionally potent agonists at nicotinic acetylcholine receptors. | Journal of medicinal chemistry 20070726 |
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