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Home > Pyridines > 125043-97-2
125043-97-2 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(4-pyridinyl)-
CAS No: 125043-97-2 Catalog No: AG000N11 MDL No:
Product Description
Catalog Number:
AG000N11
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(4-pyridinyl)-
CAS Number:
125043-97-2
Molecular Formula:
C10H13N3
Molecular Weight:
175.2303
IUPAC Name:
2-pyridin-4-yl-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C10H13N3/c1-3-11-4-2-9(1)13-7-8-5-10(13)6-12-8/h1-4,8,10,12H,5-7H2
InChI Key:
KNNOZXNWPUIBSA-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)N1CC2CC1CN2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.235g/mol
Monoisotopic Mass:
175.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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