Nitrotyrosine Ethyl Ester
[CAS# 53497-45-3]

Identification

• Name: Nitrotyrosine Ethyl Ester
• Synonyms: Ethyl (2S)-2-Amino-3-(4-Hydroxy-3-Nitro-Phenyl)Propanoate; (2S)-2-Amino-3-(4-Hydroxy-3-Nitrophenyl)Propanoic Acid Ethyl Ester; (2S)-2-Amino-3-(4-Hydroxy-3-Nitro-Phenyl)Propionic Acid Ethyl Ester
• Molecular Formula: C₁₁H₁₄N₂O₅
• Molecular Weight: 254.24
• CAS Registry Number: 53497-45-3
• SMILES: [C@H](C(=O)OCC)(N)CC1=CC(=C(O)C=C1)[N+](=O)[O-]
• InChI: 1S/C11H14N2O5/c1-2-18-11(15)8(12)5-7-3-4-10(14)9(6-7)13(16)17/h3-4,6,8,14H,2,5,12H2,1H3/t8-/m0/s1
• InChIKey: VDFGKWYGLJURQQ-QMMMGPOBSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 388.891°C at 760 mmHg (Cal.)
• Flash point: 188.995°C (Cal.)