4-Amino-N-(2-cyanoethyl)-1-methyl-1H-pyrrole-2-carboxamide

Base Information

• Chemical Name: 4-Amino-N-(2-cyanoethyl)-1-methyl-1H-pyrrole-2-carboxamide
• CAS No.: 97950-77-1
• Molecular Formula: C9H12N4O
• Molecular Weight: 192.21800
• DSSTox Substance ID: DTXSID80550472
• Wikidata: Q82429852

Synonyms:97950-77-1;4-Amino-N-(2-cyanoethyl)-1-methyl-1H-pyrrole-2-carboxamide;SCHEMBL4858229;DTXSID80550472

Chemical Property of 4-Amino-N-(2-cyanoethyl)-1-methyl-1H-pyrrole-2-carboxamide

Chemical Property:

• PSA: 83.84000
• LogP: 1.22288
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.10111102
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C=C1C(=O)NCCC#N)N

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