9-[3-(4-Hydroxyphenyl)propyl]-12-isopropyl-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
[CAS# 57765-94-3]

Identification

• Name: 9-[3-(4-Hydroxyphenyl)propyl]-12-isopropyl-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
• Synonyms: 9-[3-(4-Hydroxyphenyl)Propyl]-12-Isopropyl-3-Methyl-6-Methylene-1-Oxa-4,7,10-Triazacyclododecane-2,5,8,11-Tetrone; 9-[3-(4-Hydroxyphenyl)Propyl]-12-Isopropyl-3-Methyl-6-Methylene-1-Oxa-4,7,10-Triazacyclododecane-2,5,8,11-Diquinone; Am-Toxin Iii
• Molecular Formula: C₂₂H₂₉N₃O₆
• Molecular Weight: 431.49
• CAS Registry Number: 57765-94-3
• SMILES: C1=C(O)C=CC(=C1)CCCC2C(NC(C(=O)NC(C(OC(C(N2)=O)C(C)C)=O)C)=C)=O
• InChI: 1S/C22H29N3O6/c1-12(2)18-21(29)25-17(7-5-6-15-8-10-16(26)11-9-15)20(28)23-13(3)19(27)24-14(4)22(30)31-18/h8-12,14,17-18,26H,3,5-7H2,1-2,4H3,(H,23,28)(H,24,27)(H,25,29)
• InChIKey: KXURJQNPXSDHDB-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 840.65°C at 760 mmHg (Cal.)
• Flash point: 462.209°C (Cal.)