1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester
• CAS No.: 62669-75-4
• Molecular Formula: C20H23NO4
• Molecular Weight: 341.40
• European Community (EC) Number: 263-688-3
• DSSTox Substance ID: DTXSID0069622
• Nikkaji Number: J307.114F
• Mol file: 62669-75-4.mol

Synonyms:COUMARIN 338;62669-75-4;Coumarin338;EINECS 263-688-3;1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester;tert-butyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate;1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester;tert-Butyl 11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate;tert-Butyl 2,3,6,7-tetrahydro-11-oxo-7H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carboxylate;Tert-butyl 2,3,6,7-tetrahydro-11-oxo-7H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate;Ethyl2-morpholinecarboxylate;DTXSID0069622;SCHEMBL10123976;AKOS024285417;1,2,3,5,6,7-Hexahydro-11-oxo-11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid tert-butyl ester;1H,5H,11H-[1]Benzopyrano[ 6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester

Chemical Property of 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester

Chemical Property:

• Appearance/Colour: yellow to green-yellow crystalline powder
• Vapor Pressure: 6.8E-12mmHg at 25°C
• Melting Point: 171 °C
• Refractive Index: 1.61
• Boiling Point: 544 °C at 760 mmHg
• PKA: 5.36±0.40(Predicted)
• Flash Point: 282.8 °C
• PSA: 59.75000
• Density: 1.27 g/cm³
• LogP: 3.51210
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 341.16270821
• Heavy Atom Count: 25
• Complexity: 605

Purity/Quality:

98%Min ^*data from raw suppliers

Coumarin338 ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3