Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
CAS : 89193-16-8
Ref. 3D-FE23021
| 1g | Arrêté | ||
| 2g | Arrêté | ||
| 5g | Arrêté | ||
| 10g | Arrêté | ||
| 25g | Arrêté |
Informations sur le produit
Nom :
Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
Synonymes :
- 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl esterEthyl 5-methyl-1-phenylpyrazole-4-carboxylateNSC 85879
Description :
Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate (EMPC) is an organic compound that belongs to the class of 1,2,3,4-tetrahydroquinolines. It crystallizes in the form of a dimorphous mixture with acetoacetate. EMPC has been shown to interact with molecular orbitals and cell parameters by means of functional theory. Crystals x-ray diffraction analysis revealed that EMPC is a molecule with a planar structure. Single crystal x-ray diffraction and elemental analysis data confirmed the presence of a methyl group on the nitrogen atom at position 3 in EMPC. The electronic structure was elucidated by theoretical calculations using density functional theory.
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Marque:
Biosynth
Stockage à long terme :
Notes :
Propriétés chimiques
Masse moléculaire :
230.26 g/mol
Formule :
C13H14N2O2
Degré de pureté :
Min. 95%
InChI :
InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
Code InChI :
InChIKey=XYIOIOHRWLZCDM-UHFFFAOYSA-N
SMILES :
CCOC(=O)c1cnn(-c2ccccc2)c1C
MDL:
Point de fusion :
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Code SH :
