3-((tert-Butoxycarbonylamino)methyl)-1,2,4-oxadiazole-5-carboxylic acid

Base Information

• Chemical Name: 3-((tert-Butoxycarbonylamino)methyl)-1,2,4-oxadiazole-5-carboxylic acid
• CAS No.: 946667-81-8
• Molecular Formula: C9H13N3O5
• Molecular Weight: 243.22
• DSSTox Substance ID: DTXSID40589728
• Wikidata: Q72509872
• Mol file: 946667-81-8.mol

Synonyms:946667-81-8;3-((tert-Butoxycarbonylamino)methyl)-1,2,4-oxadiazole-5-carboxylic acid;3-(((tert-Butoxycarbonyl)amino)methyl)-1,2,4-oxadiazole-5-carboxylic acid;3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazole-5-carboxylic acid;3-{[(tert-Butoxycarbonyl)amino]methyl}-1,2,4-oxadiazole-5-carboxylic acid;DTXSID40589728;MFCD13874236;3-({[(tert-butoxy)carbonyl]amino}methyl)-1,2,4-oxadiazole-5-carboxylic acid;3-(((tert-Butoxycarbonyl)amino)methyl)-1,2,4-oxadiazole-5-carboxylicacid;3-[[[(tert-Butoxy)carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxylicacid

Chemical Property of 3-((tert-Butoxycarbonylamino)methyl)-1,2,4-oxadiazole-5-carboxylic acid

Chemical Property:

• PSA: 118.04000
• Density: 1.333
• LogP: 0.99690
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 243.08552052
• Heavy Atom Count: 17
• Complexity: 302

Purity/Quality:

97% ^*data from raw suppliers

3-[[[(tert-Butoxy)carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=NOC(=N1)C(=O)O