Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt

Base Information

• Chemical Name: Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt
• CAS No.: 68083-28-3
• Molecular Formula: C19H18N2O5S
• Molecular Weight: 386.4216
• European Community (EC) Number: 268-377-6
• DSSTox Substance ID: DTXSID9071052
• Mol file: 68083-28-3.mol

Synonyms:EINECS 268-377-6;Anhydro-2-(2-(N-acetanilido)vinyl)-3-ethyl-5-sulfobenzoxazolium hydroxide;Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt;Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-5-sulfo-, inner salt;68083-28-3;C19H18N2O5S;2-(2-(Acetylphenylamino)vinyl)-3-ethyl-5-sulphonatobenzoxazolium;2-[2-(acetylphenylamino)vinyl]-3-ethyl-5-sulphonatobenzoxazolium;C19-H18-N2-O5-S;DTXSID9071052;Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-5-sulfo-, hydroxide, inner salt

Chemical Property of Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 121.68000
• Density: g/cm³
• LogP: 4.10850
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 386.09364285
• Heavy Atom Count: 27
• Complexity: 640

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=C1C=C(C=C2)S(=O)(=O)[O-])C=CN(C3=CC=CC=C3)C(=O)C
• Isomeric SMILES: CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])/C=C/N(C3=CC=CC=C3)C(=O)C