5-Cyanoamino-indazole-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 5-Cyanoamino-indazole-1-carboxylic acid tert-butyl ester
• CAS No.: 887594-17-4
• Molecular Formula: C13H14 N4 O2
• Molecular Weight: 258.28
• DSSTox Substance ID: DTXSID90697428
• Wikidata: Q82627324
• Mol file: 887594-17-4.mol

Synonyms:887594-17-4;5-CYANOAMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-Butyl 5-cyanamido-1H-indazole-1-carboxylate;tert-Butyl 5-(cyanoamino)-1H-indazole-1-carboxylate;DTXSID90697428;FT-0732125;1h-indazole-1-carboxylic acid,5-(cyanoamino)-,1,1-dimethylethyl ester

Chemical Property of 5-Cyanoamino-indazole-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 79.94000
• LogP: 2.78548
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 258.11167570
• Heavy Atom Count: 19
• Complexity: 395

Purity/Quality:

98% ^*data from raw suppliers

5-cyanoamino-indazole-1-carboxylicacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC#N)C=N1