N-(((Ethoxycarbonyl)amino)methyl)-L-isoleucine
[CAS# 54805-04-8]

Identification

• Name: N-(((Ethoxycarbonyl)amino)methyl)-L-isoleucine
• Synonyms: (2S,3S)-2-[(Ethoxycarbonylamino)Methylamino]-3-Methyl-Pentanoic Acid; (2S,3S)-2-[(Carbethoxyamino)Methylamino]-3-Methyl-Valeric Acid; A-145
• Molecular Formula: C₁₀H₂₀N₂O₄
• Molecular Weight: 232.28
• CAS Registry Number: 54805-04-8
• SMILES: [C@@H](NCNC(OCC)=O)(C(O)=O)[C@H](CC)C
• InChI: 1S/C10H20N2O4/c1-4-7(3)8(9(13)14)11-6-12-10(15)16-5-2/h7-8,11H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
• InChIKey: SCNSGPWOIGVSNJ-YUMQZZPRSA-N

Properties

• Density: 1.106g/cm³ (Cal.)
• Boiling point: 377.57°C at 760 mmHg (Cal.)
• Flash point: 182.148°C (Cal.)