4,4',5'-Trimethylazapsoralen
[CAS# 120482-97-5]

Identification

• Name: 4,4',5'-Trimethylazapsoralen
• Synonyms: 4,4',5'-Trimethylazapsoralen; 7H-Furo(2,3-B)Pyrano(3,2-E)Pyridin-7-One, 2,3,5-Trimethyl-; Brn 4872615
• Molecular Formula: C₁₃H₁₁NO₃
• Molecular Weight: 229.23
• CAS Registry Number: 120482-97-5
• SMILES: C1=C3C(=NC2=C1C(=CC(O2)=O)C)OC(=C3C)C
• InChI: 1S/C13H11NO3/c1-6-4-11(15)17-12-9(6)5-10-7(2)8(3)16-13(10)14-12/h4-5H,1-3H3
• InChIKey: PVGCABHUJKHXIP-UHFFFAOYSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 420.891°C at 760 mmHg (Cal.)
• Flash point: 208.348°C (Cal.)