Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5,6-dimethyl-, iodide

Base Information

• Chemical Name: Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5,6-dimethyl-, iodide
• CAS No.: 41729-43-5
• Molecular Formula: C21H23 N2 O2 . I
• Molecular Weight: 462.324
• European Community (EC) Number: 255-522-3
• Mol file: 41729-43-5.mol

Synonyms:41729-43-5;EINECS 255-522-3;2-(2-Acetanilinovinyl)-5,6-dimethyl-3-ethylbenzoxazolium iodide;Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5,6-dimethyl-, iodide;2-(2-N-Acetanilino)vinyl-5,6-dimethyl-3-ethylbenzoxazolium iodide;Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5,6-dimethyl-, iodide (1:1);2-(2-(Acetylphenylamino)vinyl)-3-ethyl-5,6-dimethylbenzoxazolium iodide;2-[2-(acetylphenylamino)vinyl]-3-ethyl-5,6-dimethylbenzoxazolium iodide;Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-5,6-dimethyl-, iodide;C21H23N2O2.I;C21-H23-N2-O2.I;(E)-3-ethyl-5,6-dimethyl-2-(2-(N-phenylacetamido)vinyl)benzo[d]oxazol-3-ium iodide;Benzoxazolium,2-[2-(acetylphenylamino)ethenyl]-3-ethyl-5,6-dimethyl-,iodide(1:1)

Chemical Property of Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5,6-dimethyl-, iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 37.33000
• Density: g/cm³
• LogP: 1.38480
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 462.08043
• Heavy Atom Count: 26
• Complexity: 486

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