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52943-14-3 | 2-(4-METHYLPIPERAZIN-1-YL)NICOTINONITRILE
CAS No: 52943-14-3 Catalog No: AG00DCOS MDL No:MFCD01692398
Product Description
Catalog Number:
AG00DCOS
Chemical Name:
2-(4-METHYLPIPERAZIN-1-YL)NICOTINONITRILE
CAS Number:
52943-14-3
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
MDL Number:
MFCD01692398
IUPAC Name:
2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C11H14N4/c1-14-5-7-15(8-6-14)11-10(9-12)3-2-4-13-11/h2-4H,5-8H2,1H3
InChI Key:
HZIUSLVQWZDMIE-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1N1CCN(CC1)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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