Dppaaoe

Base Information

• Chemical Name: Dppaaoe
• CAS No.: 99447-45-7
• Molecular Formula: C30H32 N3 O4 S
• Molecular Weight: 530.66
• DSSTox Substance ID: DTXSID70912707
• Mol file: 99447-45-7.mol

Synonyms:3,3-dimethyl-1-phenyl-1-phthalylacetic acid oxythiamine ester;DPPAAOE;oxythiamine 3,3-dimethyl-1-phenyl-1-phthalylacetate

Chemical Property of Dppaaoe

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 113.66000
• Density: g/cm³
• LogP: 4.88120
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 530.21135268
• Heavy Atom Count: 38
• Complexity: 959

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCOC(=O)CC3(C4=CC=CC=C4C(O3)(C)C)C5=CC=CC=C5