Chromoionophore XIV

Base Information

• Chemical Name: Chromoionophore XIV
• CAS No.: 251109-61-2
• Molecular Formula: C43H58 N2 O2
• Molecular Weight: 634.93
• DSSTox Substance ID: DTXSID20585006
• Nikkaji Number: J1.189.761D
• Wikidata: Q82476782
• Mol file: 251109-61-2.mol

Synonyms:Chromoionophore XIV;251109-61-2;DTXSID20585006;J-015816;[2-[(E)-2-acridin-9-ylethenyl]-5-(diethylamino)phenyl] octadecanoate;2-[(E)-2-(Acridin-9-yl)ethenyl]-5-(diethylamino)phenyl octadecanoate

Chemical Property of Chromoionophore XIV

Chemical Property:

• Vapor Pressure: 5.37E-23mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 760°C at 760 mmHg
• Flash Point: 413.4°C
• PSA: 42.43000
• Density: 1.046g/cm³
• LogP: 12.57150
• XLogP3: 14.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 23
• Exact Mass: 634.44982910
• Heavy Atom Count: 47
• Complexity: 833

Purity/Quality:

99% ^*data from raw suppliers

CHROMOIONOPHORE XIV 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=CC(=C1)N(CC)CC)C=CC2=C3C=CC=CC3=NC4=CC=CC=C42
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=CC(=C1)N(CC)CC)/C=C/C2=C3C=CC=CC3=NC4=CC=CC=C42

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