4-{(E)-[(4-Butoxyphenyl)methylidene]amino}-4-phenylbutyl hydrogen carbonate

Base Information

• Chemical Name: 4-{(E)-[(4-Butoxyphenyl)methylidene]amino}-4-phenylbutyl hydrogen carbonate
• CAS No.: 50260-63-4
• Molecular Formula: C22H27NO4
• Molecular Weight: 369.5
• DSSTox Substance ID: DTXSID40701327
• Mol file: 50260-63-4.mol

Synonyms:DTXSID40701327;4-{(E)-[(4-Butoxyphenyl)methylidene]amino}-4-phenylbutyl hydrogen carbonate

Chemical Property of 4-{(E)-[(4-Butoxyphenyl)methylidene]amino}-4-phenylbutyl hydrogen carbonate

Chemical Property:

• PKA: 3.48±0.50(Predicted)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 369.19400834
• Heavy Atom Count: 27
• Complexity: 426

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C=NC(CCCOC(=O)O)C2=CC=CC=C2