4-Oxo-4-[[2-[[2-[(1-Oxooctadecyl)Amino]Ethyl]Amino]Ethyl]Amino]Isocrotonic Acid
[CAS# 94134-73-3]

Identification

• Name: 4-Oxo-4-[[2-[[2-[(1-Oxooctadecyl)Amino]Ethyl]Amino]Ethyl]Amino]Isocrotonic Acid
• Synonyms: (Z)-4-[2-[2-(Octadecanoylamino)Ethylamino]Ethylamino]-4-Oxo-But-2-Enoic Acid; (Z)-4-Oxo-4-[2-[2-(1-Oxooctadecylamino)Ethylamino]Ethylamino]But-2-Enoic Acid; (Z)-4-Keto-4-[2-(2-Stearamidoethylamino)Ethylamino]But-2-Enoic Acid
• Molecular Formula: C₂₆H₄₉N₃O₄
• Molecular Weight: 467.69
• CAS Registry Number: 94134-73-3
• EINECS: 302-842-7
• SMILES: C(NC(=O)\C=C/C(=O)O)CNCCNC(=O)CCCCCCCCCCCCCCCCC
• InChI: 1S/C26H49N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28-22-20-27-21-23-29-25(31)18-19-26(32)33/h18-19,27H,2-17,20-23H2,1H3,(H,28,30)(H,29,31)(H,32,33)/b19-18-
• InChIKey: XKOTZLQWWQQTLQ-HNENSFHCSA-N

Properties

• Density: 1.002g/cm³ (Cal.)
• Boiling point: 692.687°C at 760 mmHg (Cal.)
• Flash point: 372.724°C (Cal.)