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Home > Pyridines > 338748-73-5
338748-73-5 | 2-methyl-6-oxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS No: 338748-73-5 Catalog No: AG00IP7N MDL No:MFCD00975041
Product Description
Catalog Number:
AG00IP7N
Chemical Name:
2-methyl-6-oxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS Number:
338748-73-5
Molecular Formula:
C17H20N2O
Molecular Weight:
268.3535
MDL Number:
MFCD00975041
IUPAC Name:
6-methyl-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydropyridine-5-carbonitrile
InChI:
InChI=1S/C17H20N2O/c1-11-7-12(2)16(13(3)8-11)10-19-14(4)15(9-18)5-6-17(19)20/h7-8H,5-6,10H2,1-4H3
InChI Key:
YLGOXBMFCHMBED-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)N(C(=O)CC1)Cc1c(C)cc(cc1C)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.36g/mol
Monoisotopic Mass:
268.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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