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2055-30-3 | Pyridine, 3-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]-
CAS No: 2055-30-3 Catalog No: AG002A4Q MDL No:
Product Description
Catalog Number:
AG002A4Q
Chemical Name:
Pyridine, 3-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]-
CAS Number:
2055-30-3
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
IUPAC Name:
3-(1-benzylpyrrolidin-2-yl)pyridine
InChI:
InChI=1S/C16H18N2/c1-2-6-14(7-3-1)13-18-11-5-9-16(18)15-8-4-10-17-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2
InChI Key:
OROZJANMNGFCRU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC[C@H]1c1cccnc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
238.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Binding of nicotine and homoazanicotine analogues at neuronal nicotinic acetylcholinergic (nACh) receptors. | Bioorganic & medicinal chemistry letters 20030224 |
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