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Home > Pyridines > 1245646-64-3
1245646-64-3 | 2-Pyridinecarbonitrile, 4-[(4-methyl-1-piperazinyl)methyl]-
CAS No: 1245646-64-3 Catalog No: AG000MB6 MDL No:
Product Description
Catalog Number:
AG000MB6
Chemical Name:
2-Pyridinecarbonitrile, 4-[(4-methyl-1-piperazinyl)methyl]-
CAS Number:
1245646-64-3
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
IUPAC Name:
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
InChI:
InChI=1S/C12H16N4/c1-15-4-6-16(7-5-15)10-11-2-3-14-12(8-11)9-13/h2-3,8H,4-7,10H2,1H3
InChI Key:
QXKAKPHYFABUJS-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1)CN1CCN(CC1)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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