Homopsoralen
[CAS# 6054-09-7]

Identification

• Name: Homopsoralen
• Synonyms: 2-[(2,5-Dimethylphenyl)-Phenylsulfonyl-Amino]Acetamide; 2-[(2,5-Dimethylphenyl)-Phenylsulfonyl-Amino]Ethanamide; Oprea1_315708
• Molecular Formula: C₁₆H₁₈N₂O₃S
• Molecular Weight: 318.39
• CAS Registry Number: 6054-09-7
• SMILES: C1=C(C=CC(=C1N([S](=O)(=O)C2=CC=CC=C2)CC(=O)N)C)C
• InChI: 1S/C16H18N2O3S/c1-12-8-9-13(2)15(10-12)18(11-16(17)19)22(20,21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,17,19)
• InChIKey: HTNIGOMIQILBHA-UHFFFAOYSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 543.004°C at 760 mmHg (Cal.)
• Flash point: 282.199°C (Cal.)