Coumarin 314T

Base Information

• Chemical Name: Coumarin 314T
• CAS No.: 113869-06-0
• Molecular Formula: C22H27NO4
• Molecular Weight: 369.46
• Hs Code.: 2934999090
• European Community (EC) Number: 807-855-6
• DSSTox Substance ID: DTXSID80361469
• Nikkaji Number: J1.944.993I
• Mol file: 113869-06-0.mol

Synonyms:Coumarin 314T;113869-06-0;Coumarin 504T;ST50307358;Ethyl 1,1,7,7-tetramethyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate;ethyl 1,1,7,7-tetramethyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate;Ethyl 10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraene-5-carboxylate;ethyl 10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate;Oprea1_831274;SCHEMBL11938166;DTXSID80361469;Coumarin 314T, Coumarin 504T;MFCD00144013;STK380093;AKOS005450522;C3045;CS-0373768;T70096;A909451;Ethyl 2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-11-oxo-;1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate;2,3,6,7-TETRAHYDRO-1,1,7,7-TETRAMETHYL-11-OXO-1H,5H,11H-[1]BENZOPYRANO[6,7,8-IJ]QUINOLIZINE-10-CARBOXYLICACID,ETHYLESTER;Ethyl 2,3,6,7-Tetrahydro-1,1,7,7-tetramethyl-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate;Ethyl1,1,7,7-tetramethyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate

Chemical Property of Coumarin 314T

Chemical Property:

• Vapor Pressure: 5.63E-11mmHg at 25°C
• Melting Point: 125-127 ºC
• Refractive Index: 1.595
• Boiling Point: 521.5 °C at 760 mmHg
• Flash Point: 269.2°C
• PSA: 59.75000
• Density: 1.23g/cm³
• LogP: 4.20370
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 369.19400834
• Heavy Atom Count: 27
• Complexity: 680

Purity/Quality:

98%,99%, ^*data from raw suppliers

Coumarin 504T ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C