Methyl 4-amino-3-(cyanomethyl)-1H-indole-1-carboxylate

Base Information

• Chemical Name: Methyl 4-amino-3-(cyanomethyl)-1H-indole-1-carboxylate
• CAS No.: 89245-39-6
• Molecular Formula: C12H11N3O2
• Molecular Weight: 229.238
• DSSTox Substance ID: DTXSID90542287
• Wikidata: Q82418899

Synonyms:89245-39-6;Methyl 4-amino-3-(cyanomethyl)-1H-indole-1-carboxylate;SCHEMBL11132912;DTXSID90542287

Chemical Property of Methyl 4-amino-3-(cyanomethyl)-1H-indole-1-carboxylate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.085126602
• Heavy Atom Count: 17
• Complexity: 349

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)N1C=C(C2=C(C=CC=C21)N)CC#N

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