N-Coumaroyl serotonin

Base Information

• Chemical Name: N-Coumaroyl serotonin
• CAS No.: 201301-83-9
• Molecular Formula: C19H18N2O3
• Molecular Weight: 322.35800
• NSC Number: 369503
• UNII: IUC27Q8ACH
• DSSTox Substance ID: DTXSID10173951
• Nikkaji Number: J923.311C,J2.342.063E
• Metabolomics Workbench ID: 48167
• ChEMBL ID: CHEMBL1760547
• Mol file: 201301-83-9.mol

Synonyms:4-coumaroylserotonin;N-(p-coumaroyl)serotonin;p-C-serotonin

Chemical Property of N-Coumaroyl serotonin

Chemical Property:

• PSA: 85.35000
• LogP: 3.34210
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 322.13174244
• Heavy Atom Count: 24
• Complexity: 446

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O