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88043-47-4 | Pyrazinecarbonitrile, 6-(3,4-dimethoxyphenyl)-3-(dimethylamino)-
CAS No: 88043-47-4 Catalog No: AG004IXY MDL No:
Product Description
Catalog Number:
AG004IXY
Chemical Name:
Pyrazinecarbonitrile, 6-(3,4-dimethoxyphenyl)-3-(dimethylamino)-
CAS Number:
88043-47-4
Molecular Formula:
C15H16N4O2
Molecular Weight:
284.3131
IUPAC Name:
6-(3,4-dimethoxyphenyl)-3-(dimethylamino)pyrazine-2-carbonitrile
InChI:
InChI=1S/C15H16N4O2/c1-19(2)15-11(8-16)18-12(9-17-15)10-5-6-13(20-3)14(7-10)21-4/h5-7,9H,1-4H3
InChI Key:
MIOULYNMFOIKFM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cnc(c(n1)C#N)N(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.319g/mol
Monoisotopic Mass:
284.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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