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1001004-49-4 | 5,6,7,8-tetrahydro-5,8-epiminoquinoline
CAS No: 1001004-49-4 Catalog No: AG0091RR MDL No:MFCD19226234
Product Description
Catalog Number:
AG0091RR
Chemical Name:
5,6,7,8-tetrahydro-5,8-epiminoquinoline
CAS Number:
1001004-49-4
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD19226234
IUPAC Name:
3,11-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
InChI:
InChI=1S/C9H10N2/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-2,5,7-8,11H,3-4H2
InChI Key:
CCTCPRSPWROPKQ-UHFFFAOYSA-N
SMILES:
c1ccc2c(n1)C1CCC2N1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and nicotinic acetylcholine receptor binding properties of bridged and fused ring analogues of epibatidine. | Journal of medicinal chemistry 20071213 |
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