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88969-31-7 | (5Z)-5-[(E)-3-(5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxo-pyridin-3-yl)prop-2-enylidene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile; N,N-diethylethanamine
CAS No: 88969-31-7 Catalog No: AG0046YG MDL No:
Product Description
Catalog Number:
AG0046YG
Chemical Name:
(5Z)-5-[(E)-3-(5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxo-pyridin-3-yl)prop-2-enylidene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile; N,N-diethylethanamine
CAS Number:
88969-31-7
Molecular Formula:
C27H35N5O4
Molecular Weight:
493.5979
IUPAC Name:
5-[3-(5-cyano-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)prop-1-enyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;N,N-diethylethanamine
InChI:
InChI=1S/C21H20N4O4.C6H15N/c1-5-24-18(26)14(12(3)16(10-22)20(24)28)8-7-9-15-13(4)17(11-23)21(29)25(6-2)19(15)27;1-4-7(5-2)6-3/h7-9,26H,5-6H2,1-4H3;4-6H2,1-3H3
InChI Key:
DUMMGUQUIPPFSU-UHFFFAOYSA-N
SMILES:
CCN1C(=O)/C(=C\C=C\c2c(C)c(C#N)c(=O)n(c2O)CC)/C(=C(C1=O)C#N)C.CCN(CC)CC
EC Number:
289-457-7
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.269g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
493.608g/mol
Monoisotopic Mass:
493.269g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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