N²-(2-Carboxyethyl)-N⁵-(Diaminomethylene)-L-Ornithine
[CAS# 63358-47-4]

Identification

• Name: N²-(2-Carboxyethyl)-N⁵-(Diaminomethylene)-L-Ornithine
• Synonyms: (+)-ALLO-OCTOPINE; (2S)-5-{[amino(iminio)methyl]amino}-2-[(2-carboxylatoethyl)azaniumyl]pentanoate; BEK
• Molecular Formula: C₉H₁₈N₄O₄
• Molecular Weight: 246.26
• CAS Registry Number: 63358-47-4
• SMILES: O=C(O)CCN[C@H](C(=O)O)CCC/N=C(\N)N
• InChI: 1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1
• InChIKey: OHWCFZJEIHZWMN-LURJTMIESA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 547.969°C at 760 mmHg (Cal.)
• Flash point: 285.202°C (Cal.)