(aS,bR)-alpha-Ethyl-beta-(hydroxymethyl)-1-methyl-1H-imidazole-5-butanoic acid
[CAS# 28406-15-7]

Identification

• Name: (aS,bR)-alpha-Ethyl-beta-(hydroxymethyl)-1-methyl-1H-imidazole-5-butanoic acid
• Synonyms: (2S,3R)-2-Ethyl-3-(Hydroxymethyl)-4-(3-Methyl-4-Imidazolyl)Butanoic Acid; (2S,3R)-2-Ethyl-4-Hydroxy-3-[(3-Methylimidazol-4-Yl)Methyl]Butyric Acid; 1H-Imidazole-5-Butanoic Acid, Alpha-Ethyl-Beta-(Hydroxymethyl)-1-Methyl-, (S-(R*,S*))-
• Molecular Formula: C₁₁H₁₈N₂O₃
• Molecular Weight: 226.27
• CAS Registry Number: 28406-15-7
• SMILES: [C@@H](CC1=CN=C[N]1C)([C@H](CC)C(=O)O)CO
• InChI: 1S/C11H18N2O3/c1-3-10(11(15)16)8(6-14)4-9-5-12-7-13(9)2/h5,7-8,10,14H,3-4,6H2,1-2H3,(H,15,16)/t8-,10-/m0/s1
• InChIKey: WJRPDGADPABWOY-WPRPVWTQSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 481.284°C at 760 mmHg (Cal.)
• Flash point: 244.872°C (Cal.)