(E)-2-(Diaminomethylideneamino)-3,4,5,14-Tetrahydroxyicos-6-Enoic Acid
[CAS# 121025-44-3]

Identification

• Name: (E)-2-(Diaminomethylideneamino)-3,4,5,14-Tetrahydroxyicos-6-Enoic Acid
• Synonyms: (E)-2-Guanidino-3,4,5,14-Tetrahydroxy-Icos-6-Enoic Acid; (E)-2-Guanidino-3,4,5,14-Tetrahydroxyicos-6-Enoic Acid; (E)-2-(Diaminomethylideneamino)-3,4,5,14-Tetrahydroxy-Icos-6-Enoic Acid
• Molecular Formula: C₂₁H₄₁N₃O₆
• Molecular Weight: 431.57
• CAS Registry Number: 121025-44-3
• SMILES: C(C(O)CCCCCC)CCCCC\C=C\C(O)C(O)C(O)C(N=C(N)N)C(O)=O
• InChI: 1S/C21H41N3O6/c1-2-3-4-9-12-15(25)13-10-7-5-6-8-11-14-16(26)18(27)19(28)17(20(29)30)24-21(22)23/h11,14-19,25-28H,2-10,12-13H2,1H3,(H,29,30)(H4,22,23,24)/b14-11+
• InChIKey: FFZVMOYYSHXZHW-SDNWHVSQSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 698.556°C at 760 mmHg (Cal.)
• Flash point: 376.273°C (Cal.)