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Home > Pyridines > 338415-13-7
338415-13-7 | 2-methyl-1-[(4-methylphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS No: 338415-13-7 Catalog No: AG00IOPA MDL No:MFCD00975017
Product Description
Catalog Number:
AG00IOPA
Chemical Name:
2-methyl-1-[(4-methylphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS Number:
338415-13-7
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD00975017
IUPAC Name:
6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile
InChI:
InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)10-17-12(2)14(9-16)7-8-15(17)18/h3-6H,7-8,10H2,1-2H3
InChI Key:
AWCIGKDESOWGDY-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)N(C(=O)CC1)Cc1ccc(cc1)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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