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Home > Pyridines > 1137949-73-5
1137949-73-5 | 3-Pyridinecarbonitrile, 5-(4-piperidinyl)-, hydrochloride (1:2)
CAS No: 1137949-73-5 Catalog No: AG0009P6 MDL No:
Product Description
Catalog Number:
AG0009P6
Chemical Name:
3-Pyridinecarbonitrile, 5-(4-piperidinyl)-, hydrochloride (1:2)
CAS Number:
1137949-73-5
Molecular Formula:
C11H15Cl2N3
Molecular Weight:
260.1629
IUPAC Name:
5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride
InChI:
InChI=1S/C11H13N3.2ClH/c12-6-9-5-11(8-14-7-9)10-1-3-13-4-2-10;;/h5,7-8,10,13H,1-4H2;2*1H
InChI Key:
FAHQLCORUZAWKA-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)C1CCNCC1.Cl.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.162g/mol
Monoisotopic Mass:
259.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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