3-Amino-4-(propylamino)cyclobut-3-ene-1,2-dione

Base Information

• Chemical Name: 3-Amino-4-(propylamino)cyclobut-3-ene-1,2-dione
• CAS No.: 282093-54-3
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.1665
• DSSTox Substance ID: DTXSID70385098
• Wikidata: Q82177672
• ChEMBL ID: CHEMBL2369268
• Mol file: 282093-54-3.mol

Synonyms:282093-54-3;3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione;3-Amino-4-(propylamino)-3-cyclobutene-1,2-dione;1346604-28-1;MLS000861085;CHEMBL2369268;DTXSID70385098;HMS2788B08;SMR000459869;FT-0662034

Chemical Property of 3-Amino-4-(propylamino)cyclobut-3-ene-1,2-dione

Chemical Property:

• PSA: 72.19000
• LogP: 0.39930
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 243

Purity/Quality:

98% ^*data from raw suppliers

3-Amino-4-(propylamino)-3-cyclobutene-1,2-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC1=C(C(=O)C1=O)N
• Uses: A novel class of sugar-nucleotide mimics. Sugar-nucleotides such as GDP-mannose, GDP-furose and UDP-glucose are important biomolecules with a central role in carbohydrate and glycoconjugate biosynthesis metabolites and cell signaling.