Methyl L-Histidinate
[CAS# 1499-46-3]

Identification

• Name: Methyl L-Histidinate
• Synonyms: (2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoic Acid Methyl Ester; (2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propionic Acid Methyl Ester
• Molecular Formula: C₇H₁₁N₃O₂
• Molecular Weight: 169.18
• CAS Registry Number: 1499-46-3
• EINECS: 216-109-3
• SMILES: [C@H](N)(CC1=CN=C[NH]1)C(OC)=O
• InChI: 1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/t6-/m0/s1
• InChIKey: BXRMEWOQUXOLDH-LURJTMIESA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 368.243°C at 760 mmHg (Cal.)
• Flash point: 176.507°C (Cal.)

References

• (1): Marjan Jebeli Javan, Zahra Jamshidi, Zahra Aliakbar Tehrani and Alireza Fattahi. Interactions of coinage metal clusters with histidine and their effects on histidine acidity; theoretical investigation, Org. Biomol. Chem., 2012, 10, 9373.