5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, hexadecyl ester

Base Information

• Chemical Name: 5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, hexadecyl ester
• CAS No.: 69898-63-1
• Molecular Formula: C48H66 N2 O5
• Molecular Weight: 751.04804
• European Community (EC) Number: 274-205-0
• DSSTox Substance ID: DTXSID30887523
• Nikkaji Number: J318.085I
• Mol file: 69898-63-1.mol

Synonyms:69898-63-1;EINECS 274-205-0;5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, hexadecyl ester;Hexadecyl 3-(4-(diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylate;5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, hexadecyl ester;HEXADECYL 3-[4-(DIETHYLAMINO)-2-ETHOXYPHENYL]-3-(1-ETHYL-2-METHYL-1H-INDOL-3-YL)-1,3-DIHYDRO-1-OXOISOBENZOFURAN-5-CARBOXYLATE;DTXSID30887523;3-[4-(Diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid hexadecyl ester

Chemical Property of 5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, hexadecyl ester

Chemical Property:

• Vapor Pressure: 4.73E-28mmHg at 25°C
• Boiling Point: 834.8°C at 760 mmHg
• Flash Point: 458.6°C
• PSA: 70.00000
• Density: 1.07g/cm³
• LogP: 12.31490
• XLogP3: 14.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 25
• Exact Mass: 750.49717321
• Heavy Atom Count: 55
• Complexity: 1130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2(C3=C(C=C(C=C3)N(CC)CC)OCC)C4=C(N(C5=CC=CC=C54)CC)C

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