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52648-13-2

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52648-13-2 Structure

52648-13-2 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
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