12-Isopropyl-9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
[CAS# 87105-09-7]

Identification

• Name: 12-Isopropyl-9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
• Synonyms: (2-Amino-4-(4-methoxyphenyl)butanoic acid)-AM toxin I; AM Toxin I, (2-amino-4-(4-methoxyphenyl)butanoic acid)-
• Molecular Formula: C₂₂H₂₉N₃O₆
• Molecular Weight: 431.48
• CAS Registry Number: 87105-09-7
• SMILES: O=C1NC(C(=O)N/C(C(=O)NC(C(=O)OC1C(C)C)C)=C)CCc2ccc(OC)cc2
• InChI: 1S/C22H29N3O6/c1-12(2)18-21(28)25-17(11-8-15-6-9-16(30-5)10-7-15)20(27)23-13(3)19(26)24-14(4)22(29)31-18/h6-7,9-10,12,14,17-18H,3,8,11H2,1-2,4-5H3,(H,23,27)(H,24,26)(H,25,28)
• InChIKey: YSONUVGWOCXRPA-UHFFFAOYSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 806.946°C at 760 mmHg (Cal.)
• Flash point: 441.825°C (Cal.)