Methyl 3-amino-4-cyano-1,5-dimethyl-1H-pyrrole-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4-cyano-1,5-dimethyl-1H-pyrrole-2-carboxylate
• CAS No.: 360062-18-6
• Molecular Formula: C9 H11 N3 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50579190
• Mol file: 360062-18-6.mol

Synonyms:360062-18-6;Methyl 3-amino-4-cyano-1,5-dimethyl-1H-pyrrole-2-carboxylate;methyl 3-amino-4-cyano-1,5-dimethylpyrrole-2-carboxylate;1H-Pyrrole-2-carboxylic acid, 3-amino-4-cyano-1,5-dimethyl-, methyl ester;SCHEMBL3945272;DTXSID50579190;1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1,5-dimethyl-,methylester

Chemical Property of Methyl 3-amino-4-cyano-1,5-dimethyl-1H-pyrrole-2-carboxylate

Chemical Property:

• PSA: 81.04000
• LogP: 1.15518
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.085126602
• Heavy Atom Count: 14
• Complexity: 283

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3-AMINO-4-CYANO-1,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(N1C)C(=O)OC)N)C#N