12-Isopropyl-9-[4-(4-methoxyphenyl)butyl]-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
[CAS# 87105-10-0]

Identification

• Name: 12-Isopropyl-9-[4-(4-methoxyphenyl)butyl]-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
• Synonyms: (2-Amino-6-(4-methoxyphenyl)hexanoic acid)-AM toxin I; AM Toxin I, (2-amino-6-(4-methoxyphenyl)hexanoic acid)-; Ampha-AM toxin I
• Molecular Formula: C₂₄H₃₃N₃O₆
• Molecular Weight: 459.54
• CAS Registry Number: 87105-10-0
• SMILES: O=C1NC(C(=O)N/C(C(=O)NC(C(=O)OC1C(C)C)C)=C)CCCCc2ccc(OC)cc2
• InChI: 1S/C24H33N3O6/c1-14(2)20-23(30)27-19(9-7-6-8-17-10-12-18(32-5)13-11-17)22(29)25-15(3)21(28)26-16(4)24(31)33-20/h10-14,16,19-20H,3,6-9H2,1-2,4-5H3,(H,25,29)(H,26,28)(H,27,30)
• InChIKey: HIZFOBQMHOLKJR-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 809.238°C at 760 mmHg (Cal.)
• Flash point: 443.211°C (Cal.)