(2E)-1-(3,4-Dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one

CAS: 127172-22-9

Ref. 3D-FD124478

Información del producto

• Nombre: (2E)-1-(3,4-Dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
• Sinónimos: 2-propen-1-one, 1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-, (2E)-
• CAS: 127172-22-9

Descripción

The structure of (2E)-1-(3,4-Dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one was determined using Bruker X8 APEXII diffractometer with a graphite monochromator and a Mo Kα radiation. The crystal belongs to the monoclinic space group C2/c with unit cell dimensions a=25.085 Å, b=5.532 Å, c=11.913 Å and β=90°. This compound crystallizes in an isotropic form and has yellow color. The measured values for this compound are: θ = 0.710 ± 0.001°; ρ = 1.62 ± 0.02 g·cm−3; μ(MoKα)=0.0581 ± 0.0012 mm−1; G = 2166 ± 3 cm−1; F(000) =

• Marca: Biosynth

Propiedades químicas

• Peso molecular: 235.28 g/mol
• Fórmula: C₁₃H₁₇NO₃
• Pureza: Min. 95%
• InChI: InChI=1S/C13H17NO3/c1-14(2)8-7-11(15)10-5-6-12(16-3)13(9-10)17-4/h5-9H,1-4H3/b8-7+
• Clave InChI: InChIKey=SUPCYQIUOSDKPA-BQYQJAHWSA-N
• SMILES: COc1ccc(C(=O)/C=C/N(C)C)cc1OC