3-Ethyl-2-(4-(phenylamino)buta-1,3-dienyl)benzoxazolium iodide

Base Information

• Chemical Name: 3-Ethyl-2-(4-(phenylamino)buta-1,3-dienyl)benzoxazolium iodide
• CAS No.: 63467-92-5
• Molecular Formula: C19H19 N2 O . I
• Molecular Weight: 418.27143
• European Community (EC) Number: 264-244-1
• DSSTox Substance ID: DTXSID00886609
• Mol file: 63467-92-5.mol

Synonyms:63467-92-5;3-Ethyl-2-(4-(phenylamino)buta-1,3-dienyl)benzoxazolium iodide;EINECS 264-244-1;Benzoxazolium, 3-ethyl-2-(4-(phenylamino)-1,3-butadienyl)-, iodide;Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadienyl]-, iodide;Benzoxazolium, 3-ethyl-2-(4-(phenylamino)-1,3-butadien-1-yl)-, iodide (1:1);3-ethyl-2-[4-(phenylamino)buta-1,3-dienyl]benzoxazolium iodide;Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1);DTXSID00886609

Chemical Property of 3-Ethyl-2-(4-(phenylamino)buta-1,3-dienyl)benzoxazolium iodide

Chemical Property:

• PSA: 30.43000
• LogP: 5.27270
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 418.05421
• Heavy Atom Count: 23
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(OC2=CC=CC=C21)C=CC=CNC3=CC=CC=C3.[I-]