7-Dimethylaminocoumarin-4-acetic acid

Base Information

• Chemical Name: 7-Dimethylaminocoumarin-4-acetic acid
• CAS No.: 80883-54-1
• Molecular Formula: C13H13NO4
• Molecular Weight: 247.251
• Hs Code.: 2932209090
• UNII: 359554T46Y
• DSSTox Substance ID: DTXSID30376341
• Nikkaji Number: J1.057.785C
• Wikidata: Q82165264
• Mol file: 80883-54-1.mol

Synonyms:80883-54-1;7-DIMETHYLAMINOCOUMARIN-4-ACETIC ACID;2-(7-(dimethylamino)-2-oxo-2H-chromen-4-yl)acetic acid;7-(Dimethylamino)coumarin-4-acetic acid;2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid;7-(Dimethylamino)coumarine-4-Acetic Acid;2H-1-Benzopyran-4-acetic acid, 7-(dimethylamino)-2-oxo-;2-[7-(dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid;7-(Dimethylamino)coumarin-4-aceticacid;COUMARIN D126;Oprea1_682625;SCHEMBL259612;DTXSID30376341;HQMBLJOHUDYJLK-UHFFFAOYSA-N;AMY21381;7-Dimethylaminocoumarin-4acetic acid;MFCD00857826;AKOS015850802;7-dimethyl aminocoumarin-4-acetic acid;CS-W021421;GS-4260;PD167327;359554T46Y;D-126;FT-0621399;A19197;J-519038;2-Oxo-7-(dimethylamino)-2H-1-benzopyran-4-acetic acid;7-(DIMETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-4-ACETIC ACID

Chemical Property of 7-Dimethylaminocoumarin-4-acetic acid

Chemical Property:

• Vapor Pressure: 1.01E-10mmHg at 25°C
• Melting Point: 163.5-164.5 °C
• Refractive Index: 1.618
• Boiling Point: 497.6 °C at 760 mmHg
• PKA: 4.27 ± 0.10, most acidic, temperature: 25 °C; 1.70 ± 0.20, most basic(at 25℃)
• Flash Point: 254.8 °C
• PSA: 70.75000
• Density: 1.334 g/cm³
• LogP: 1.48610
• Storage Temp.: 2-8°C
• Solubility.: Soluble in N,N-dimethylformamide, methanol
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 389

Purity/Quality:

98%min ^*data from raw suppliers

7-Dimethylaminocoumarin-4-aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O