1H-Indole-2-carboxylic acid, 3-(3,3-dimethyl-1-triazenyl)-, ethyl ester

Base Information

• Chemical Name: 1H-Indole-2-carboxylic acid, 3-(3,3-dimethyl-1-triazenyl)-, ethyl ester
• CAS No.: 89607-71-6
• Molecular Formula: C13H16N4O2
• Molecular Weight: 260.29200
• DSSTox Substance ID: DTXSID20425256
• ChEMBL ID: CHEMBL527700

Synonyms:GNF-Pf-3743;89607-71-6;1H-Indole-2-carboxylic acid, 3-(3,3-dimethyl-1-triazenyl)-, ethyl ester;Oprea1_130107;Oprea1_467604;CHEMBL527700;DTXSID20425256;STK386403;AKOS000562385;ETHYL 3-[(1E)-3,3-DIMETHYL-1-TRIAZENYL]-1H-INDOLE-2-CARBOXYLATE;ethyl 3-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-1H-indole-2-carboxylate

Chemical Property of 1H-Indole-2-carboxylic acid, 3-(3,3-dimethyl-1-triazenyl)-, ethyl ester

Chemical Property:

• PSA: 66.29000
• LogP: 0.93260
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 260.12732577
• Heavy Atom Count: 19
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1)N=NN(C)C

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