4H-1-Benzopyran-4-one, 2,3-dihydro-8-(2-(diethylamino)ethyl)-5,7-dihydroxy-2-phenyl-, (S)-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 2,3-dihydro-8-(2-(diethylamino)ethyl)-5,7-dihydroxy-2-phenyl-, (S)-
• CAS No.: 183051-60-7
• Molecular Formula: C21H25 N O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90171379
• Wikidata: Q76279164
• Mol file: 183051-60-7.mol

Synonyms:8-Diethylaminoethyl pinocembrin;183051-60-7;4H-1-Benzopyran-4-one, 2,3-dihydro-8-(2-(diethylamino)ethyl)-5,7-dihydroxy-2-phenyl-, (S)-;8-Diethylaminoethylpinocembrin;(S)-2,3-Dihydro-8-(2-(diethylamino)ethyl)-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one;(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;DTXSID90171379;IUGHRWRPBJSPNC-IBGZPJMESA-N;(2S)-8-(2-diethylaminoethyl)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;LS-39544;(S)-8-(2-(Diethylamino)ethyl)-5,7-dihydroxy-2-phenylchroman-4-one;(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

Chemical Property of 4H-1-Benzopyran-4-one, 2,3-dihydro-8-(2-(diethylamino)ethyl)-5,7-dihydroxy-2-phenyl-, (S)-

Chemical Property:

• Vapor Pressure: 4.16E-13mmHg at 25°C
• Boiling Point: 559.1°Cat760mmHg
• Flash Point: 291.9°C
• PSA: 70.00000
• Density: 1.221g/cm³
• LogP: 3.68860
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 355.17835828
• Heavy Atom Count: 26
• Complexity: 461

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3
• Isomeric SMILES: CCN(CC)CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3