Chromoionophore II

Base Information

• Chemical Name: Chromoionophore II
• CAS No.: 136499-31-5
• Molecular Formula: C46H59 N3 O5
• Molecular Weight: 733.98
• DSSTox Substance ID: DTXSID50402893
• Nikkaji Number: J494.151I
• Mol file: 136499-31-5.mol

Synonyms:Chromoionophore II;136499-31-5;nonan-5-yl 11-[2-[4-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]phenyl]acetyl]oxyundecanoate;SCHEMBL598826;SCHEMBL598827;DTXSID50402893;ETH-2439;Chromoionophore II, Selectophore(TM);9-Dimethylamino-5-[4-(16-butyl-2,14-dioxo-3,15-dioxaeicosyl)phenylimino]benzo[a]phenoxazine;J-006854;9-dimethylamino-5-[4-(16-butyl-2,14-dioxo-3,15-dioxaicosyl)phenylimino]benzo[a]phenoxazine;Benzeneacetic acid,4-[[9-(dimethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]-,11-[(1-butylpentyl)oxy]-11-oxoundecyl ester;Nonan-5-yl (Z)-11-(2-(4-((9-(dimethylamino)-5H-benzo[a]phenoxazin-5-ylidene)amino)phenyl)acetoxy)undecanoate

Chemical Property of Chromoionophore II

Chemical Property:

• Vapor Pressure: 9.51E-24mmHg at 25°C
• Boiling Point: 771.9°C at 760 mmHg
• Flash Point: 420.6°C
• PSA: 94.23000
• Density: 1.11g/cm³
• LogP: 11.27300
• Storage Temp.: 2-8°C
• XLogP3: 11.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 24
• Exact Mass: 733.44547199
• Heavy Atom Count: 54
• Complexity: 1230

Purity/Quality:

98%min ^*data from raw suppliers

Chromoionophore II Selectophore ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(CCCC)OC(=O)CCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N=C2C=C3C(=NC4=C(O3)C=C(C=C4)N(C)C)C5=CC=CC=C52
• Uses: Chromoionophore XI is used as a lipophilic fluorescent pH indicator.