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198988-88-4 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(4-chlorophenyl)-
CAS No: 198988-88-4 Catalog No: AG002BUQ MDL No:
Product Description
Catalog Number:
AG002BUQ
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(4-chlorophenyl)-
CAS Number:
198988-88-4
Molecular Formula:
C11H13ClN2
Molecular Weight:
208.6873
IUPAC Name:
2-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C11H13ClN2/c12-8-1-3-10(4-2-8)14-7-9-5-11(14)6-13-9/h1-4,9,11,13H,5-7H2
InChI Key:
XAUFGRBPRFQPRU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N1CC2CC1CN2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.689g/mol
Monoisotopic Mass:
208.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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