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

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-((dimethylamino)methyl)-2-phenyl-, (S)-
• CAS No.: 183051-59-4
• Molecular Formula: C18H19 N O4
• Molecular Weight: 313.35
• DSSTox Substance ID: DTXSID30171378
• Wikidata: Q76279161
• Mol file: 183051-59-4.mol

Synonyms:183051-59-4;8-Dimethylaminomethyl pinocembrin;4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-((dimethylamino)methyl)-2-phenyl-, (S)-;8-Dimethylaminomethylpinocembrin;(S)-2,3-Dihydro-5,7-dihydroxy-8-((dimethylamino)methyl)-2-phenyl-4H-1-benzopyran-4-one;(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;DTXSID30171378;FUDHKVXYYNBYHN-INIZCTEOSA-N;(2S)-8-(dimethylaminomethyl)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;LS-39550;(S)-8-((Dimethylamino)methyl)-5,7-dihydroxy-2-phenylchroman-4-one;(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

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

Chemical Property:

• Vapor Pressure: 1.28E-11mmHg at 25°C
• Boiling Point: 524.5°Cat760mmHg
• Flash Point: 271°C
• PSA: 70.00000
• Density: 1.297g/cm³
• LogP: 2.86590
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 313.13140809
• Heavy Atom Count: 23
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3
• Isomeric SMILES: CN(C)CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3