N-Carbethoxyhistidine
[CAS# 27932-76-9]

Identification

• Name: N-Carbethoxyhistidine
• Synonyms: (2S)-2-(Carbethoxyamino)-3-(3H-Imidazol-4-Yl)Propionic Acid; L-Histidine, N-(Ethoxycarbonyl)-; N-Carbethoxyhistidine
• Molecular Formula: C₉H₁₃N₃O₄
• Molecular Weight: 227.22
• CAS Registry Number: 27932-76-9
• SMILES: [C@H](NC(OCC)=O)(CC1=CN=C[NH]1)C(O)=O
• InChI: 1S/C9H13N3O4/c1-2-16-9(15)12-7(8(13)14)3-6-4-10-5-11-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,15)(H,13,14)/t7-/m0/s1
• InChIKey: XSDVNQZWTFDETM-ZETCQYMHSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 540.022°C at 760 mmHg (Cal.)
• Flash point: 280.396°C (Cal.)