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Home > Pyridines > 1016864-49-5
1016864-49-5 | 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CAS No: 1016864-49-5 Catalog No: AG019TUI MDL No:MFCD09949305
Product Description
Catalog Number:
AG019TUI
Chemical Name:
6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CAS Number:
1016864-49-5
Molecular Formula:
C17H18N4
Molecular Weight:
278.3516
MDL Number:
MFCD09949305
IUPAC Name:
6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C17H18N4/c1-14-3-2-4-16(11-14)20-7-9-21(10-8-20)17-6-5-15(12-18)13-19-17/h2-6,11,13H,7-10H2,1H3
InChI Key:
FWABNTMAAXYTOI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)N1CCN(CC1)c1cccc(c1)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.359g/mol
Monoisotopic Mass:
278.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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