9-(2-Carboxyphenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-YL)methyl]phenyl]amino]xanthylium acetate

Base Information

• Chemical Name: 9-(2-Carboxyphenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-YL)methyl]phenyl]amino]xanthylium acetate
• CAS No.: 85030-37-1
• Molecular Formula: C50H50N6O5
• Molecular Weight: 814.9692
• European Community (EC) Number: 285-161-7
• Mol file: 85030-37-1.mol

Synonyms:9-(2-Carboxyphenyl)-3,6-bis((2-ethyl-6-methyl-4-((5-methyl-1H-imidazol-4-yl)methyl)phenyl)amino)xanthylium acetate;9-(2-CARBOXYPHENYL)-3,6-BIS[[2-ETHYL-6-METHYL-4-[(5-METHYL-1H-IMIDAZOL-4-YL)METHYL]PHENYL]AMINO]XANTHYLIUM ACETATE;C48H47N6O3.C2H3O2;C48-H47-N6-O3.C2-H3-O2

Chemical Property of 9-(2-Carboxyphenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-YL)methyl]phenyl]amino]xanthylium acetate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 169.49000
• Density: g/cm³
• LogP: 11.02890
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 814.38426872
• Heavy Atom Count: 61
• Complexity: 1250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC(=C1)CC2=C(NC=N2)C)C)NC3=CC4=C(C=C3)C(=C5C=CC(=CC5=[O+]4)NC6=C(C=C(C=C6C)CC7=C(NC=N7)C)CC)C8=CC=CC=C8C(=O)O.CC(=O)[O-]