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127895-86-7 | 4-Piperidinone, 3-ethyl-2,6-diphenyl-
CAS No: 127895-86-7 Catalog No: AG000XJD MDL No:
Product Description
Catalog Number:
AG000XJD
Chemical Name:
4-Piperidinone, 3-ethyl-2,6-diphenyl-
CAS Number:
127895-86-7
Molecular Formula:
C19H21NO
Molecular Weight:
279.3761
IUPAC Name:
3-ethyl-2,6-diphenylpiperidin-4-one
InChI:
InChI=1S/C19H21NO/c1-2-16-18(21)13-17(14-9-5-3-6-10-14)20-19(16)15-11-7-4-8-12-15/h3-12,16-17,19-20H,2,13H2,1H3
InChI Key:
MLPXDRONNNYCQN-UHFFFAOYSA-N
SMILES:
CCC1C(=O)CC(NC1c1ccccc1)c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.383g/mol
Monoisotopic Mass:
279.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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