chempirical

Hantzsch ester

C13H19NO4CAS 1149-23-1253.30 g/mol

Open in Covalent MOL file
OONHOO
AlkeneEsterSecondary amine

Properties

Molecular formula
C13H19NO4
Molar mass
253.30 g/mol
Exact mass
253.1314 Da
Melting point
182–183 °C
logP
1.65Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
1149-23-1
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1
InChIKey
LJXTYJXBORAIHX-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

25 names · show all
  • Diethone
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, diethyl ester
  • 2,6-Dimethyl-3,5-dicarbethoxy-1,4-dihydropyridine
  • 3,5-Bis(ethoxycarbonyl)-1,4-dihydro-2,6-dimethylpyridine
  • 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid diethyl ester
  • 3,5-Diethoxycarbonyl-1,4-dihydro-2,6-dimethylpyridine
  • 3,5-Dicarbethoxy-2,6-dimethyl-1,4-dihydropyridine
  • Diludine
  • Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
  • 2,6-Dimethyl-3,5-di(carboethoxy)-1,4-dihydropyridine
  • 1,4-Dihydro-3,5-dicarboxylic acid diethyl ester-2,6-dimethylpyridine
  • Ethidine
  • 3,5-Dicarboethoxy-2,6-dimethyl-1,4-dihydropyridine
  • 2,6-Dimethyl-3,5-diethoxycarbonyl-1,4-dihydropyridine
  • Hantzsch's dihydropyridine
  • 3,5-Diethoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine
  • RR 116
  • Diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • Diludin
  • 2,6-Dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
  • NSC 120573
  • NSC 3344
  • 3,5-Bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine
  • 3,5-Diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Work with Hantzsch ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Didodecyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate36265-41-561 % similar 3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate632-93-957 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-448 % similar Diethyl oxalacetate108-56-547 % similar 1,3-Diethyl 2-(1-methylethylidene)propanedioate6802-75-147 % similar Ethyl methacrylate97-63-245 % similar Diethyl malonate105-53-343 % similar Ethyl 3,3,3-trifluoro-2-oxopropanoate13081-18-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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