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19056-88-3 | Propanedioic acid, 2-[[(4-methyl-2-pyridinyl)amino]methylene]-, 1,3-diethyl ester
CAS No: 19056-88-3 Catalog No: AG002EN4 MDL No:
Product Description
Catalog Number:
AG002EN4
Chemical Name:
Propanedioic acid, 2-[[(4-methyl-2-pyridinyl)amino]methylene]-, 1,3-diethyl ester
CAS Number:
19056-88-3
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
diethyl 2-[[(4-methylpyridin-2-yl)amino]methylidene]propanedioate
InChI:
InChI=1S/C14H18N2O4/c1-4-19-13(17)11(14(18)20-5-2)9-16-12-8-10(3)6-7-15-12/h6-9H,4-5H2,1-3H3,(H,15,16)
InChI Key:
YUYJTQOIHHNZBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1nccc(c1)C)C(=O)OCC
NSC Number:
159400
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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