ethyl 5-cyano-2-[4-(2-hydroxyethyl)piperazino]-6-methylnicotinate


Chemical Name: ethyl 5-cyano-2-[4-(2-hydroxyethyl)piperazino]-6-methylnicotinate
CAS Number: 924869-05-6
Product Number: AG00IU29(AGN-PC-0WAZ67)
Synonyms:
MDL No: MFCD08444015
Molecular Formula: C16H22N4O3
Molecular Weight: 318.3709

Identification/Properties


Computed Properties
Molecular Weight:
318.37g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
318.169191g/mol
Monoisotopic Mass:
318.169191g/mol
Topological Polar Surface Area:
89.7Ų
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
442
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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