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19978-13-3 | 4-[3-(Pyridin-2-yl)propyl]pyridine
CAS No: 19978-13-3 Catalog No: AG01FE92 MDL No:MFCD06637767
Product Description
Catalog Number:
AG01FE92
Chemical Name:
4-[3-(Pyridin-2-yl)propyl]pyridine
CAS Number:
19978-13-3
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD06637767
IUPAC Name:
2-(3-pyridin-4-ylpropyl)pyridine
InChI:
InChI=1S/C13H14N2/c1-2-9-15-13(5-1)6-3-4-12-7-10-14-11-8-12/h1-2,5,7-11H,3-4,6H2
InChI Key:
BXWJUORVYMIJPC-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)CCCc1ccccn1
Properties
Complexity:
164
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:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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