3-(3-Amino-3-Oxopropyl)-2-[[4-(Diethylamino)Phenyl]Azo]-6-Ethoxybenzothiazolium Chloride
[CAS# 12221-38-4]

Identification

• Name: 3-(3-Amino-3-Oxopropyl)-2-[[4-(Diethylamino)Phenyl]Azo]-6-Ethoxybenzothiazolium Chloride
• Synonyms: 3-[2-(4-Diethylaminophenyl)Azo-6-Ethoxy-1,3-Benzothiazol-3-Ium-3-Yl]Propanamide Chloride; 3-[2-(4-Diethylaminophenyl)Azo-6-Ethoxy-1,3-Benzothiazol-3-Ium-3-Yl]Propionamide Chloride; Benzothiazolium, 3-(3-Amino-3-Oxopropyl)-2-((4-(Diethylamino)Phenyl)Azo)-6-Ethoxy-, Chloride
• Molecular Formula: C₂₂H₂₈ClN₅O₂S
• Molecular Weight: 462.01
• CAS Registry Number: 12221-38-4
• EINECS: 235-411-6
• SMILES: C1=CC(=CC3=C1[N+](=C(N=NC2=CC=C(N(CC)CC)C=C2)S3)CCC(N)=O)OCC.[Cl-]
• InChI: 1S/C22H27N5O2S.ClH/c1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22;/h7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28);1H
• InChIKey: POELEEGOWIJNBI-UHFFFAOYSA-N