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499207-38-4 | 3-PYRROLIDIN-2-YL-QUINOLINE
CAS No: 499207-38-4 Catalog No: AG006X3R MDL No:MFCD05189271
Product Description
Catalog Number:
AG006X3R
Chemical Name:
3-PYRROLIDIN-2-YL-QUINOLINE
CAS Number:
499207-38-4
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD05189271
IUPAC Name:
3-pyrrolidin-2-ylquinoline
InChI:
InChI=1S/C13H14N2/c1-2-5-12-10(4-1)8-11(9-15-12)13-6-3-7-14-13/h1-2,4-5,8-9,13-14H,3,6-7H2
InChI Key:
QETHIJNTMQASAU-UHFFFAOYSA-N
SMILES:
C1CNC(C1)c1cnc2c(c1)cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| A comparison of the binding of three series of nicotinic ligands. | Bioorganic & medicinal chemistry letters 20020805 |
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