Anthallan
[CAS# 520-47-8]

Identification

• Name: Anthallan
• Synonyms: 3-[(Dibutylamino)Methyl]-4,5,6-Trihydroxy-3H-Isobenzofuran-1-One; 1(3H)-Isobenzofuranone, 3-((Dibutylamino)Methyl)-4,5,6-Trihydroxy- (9Ci); 3-((Dibutylamino)Methyl)-4,5,6-Trihydroxyphthalide
• Molecular Formula: C₁₇H₂₅NO₅
• Molecular Weight: 323.39
• CAS Registry Number: 520-47-8
• SMILES: C1=C(O)C(=C(O)C2=C1C(OC2CN(CCCC)CCCC)=O)O
• InChI: 1S/C17H25NO5/c1-3-5-7-18(8-6-4-2)10-13-14-11(17(22)23-13)9-12(19)15(20)16(14)21/h9,13,19-21H,3-8,10H2,1-2H3
• InChIKey: UHXNHWOEFZXDCC-UHFFFAOYSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 498.403°C at 760 mmHg (Cal.)
• Flash point: 255.225°C (Cal.)