6-Amino-N-neopentyl-9H-purine-9-carboxamide

Base Information

• Chemical Name: 6-Amino-N-neopentyl-9H-purine-9-carboxamide
• CAS No.: 1092352-87-8
• Molecular Formula: C11H16N6O
• Molecular Weight: 248.28434
• DSSTox Substance ID: DTXSID70704447
• Wikidata: Q82636873
• Mol file: 1092352-87-8.mol

Synonyms:6-Amino-N-neopentyl-9H-purine-9-carboxamide;1092352-87-8;6-amino-N-(2,2-dimethylpropyl)purine-9-carboxamide;DTXSID70704447;FT-0760616;6-Amino-N-(2,2-dimethylpropyl)-9H-purine-9-carboxamide

Chemical Property of 6-Amino-N-neopentyl-9H-purine-9-carboxamide

Chemical Property:

• PKA: 12.47±0.46(Predicted)
• PSA: 102.21000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 1.79790
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 248.13855916
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

6-AMINO-N-NEOPENTYL-9H-PURINE-9-CARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CNC(=O)N1C=NC2=C(N=CN=C21)N