52648-13-2

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52648-13-2 Structure

Identification	Back Directory
[Name] 3-(2-AMINO-ETHYL)-5-METHOXY-1H-INDOLE-2-CARBOXYLIC ACID
[CAS] 52648-13-2
[Synonyms] ZERO/001872 ZINC00075083 BAS 02078416 AKOS BC-0742 Oprea1_187421 Oprea1_237596 TIMTEC-BB SBB005754 Tryptamine Impurity 2 3-(2-AMINO-ETHYL)-5-METHOXY-1H-INDOLE-2-CARBOXYLIC ACID 1H-indole-2-carboxylic acid, 3-(2-aminoethyl)-5-methoxy-
[Molecular Formula] C12H14N2O3
[MDL Number] MFCD00450677
[MOL File] 52648-13-2.mol
[Molecular Weight] 234.25

Chemical Properties	Back Directory
[Melting point ] 246-248 °C
[Boiling point ] 489.9±40.0 °C(Predicted)
[density ] 1.339±0.06 g/cm3(Predicted)
[form ] solid
[pka] 4.02±0.30(Predicted)
[InChI] 1S/C12H14N2O3/c1-17-7-2-3-10-9(6-7)8(4-5-13)11(14-10)12(15)16/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)
[InChIKey] FBEQOUNJJYSFJU-UHFFFAOYSA-N
[SMILES] COc1ccc2[nH]c(C(O)=O)c(CCN)c2c1

Safety Data	Back Directory
[WGK Germany ] WGK 3
[HazardClass ] IRRITANT
[Storage Class] 11 - Combustible Solids

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