3-[1-Hydroxy-2-[Methyl-[(2-Nitrophenyl)Methyl]Amino]Ethyl]Phenol
[CAS# 148589-31-5]

Identification

• Name: 3-[1-Hydroxy-2-[Methyl-[(2-Nitrophenyl)Methyl]Amino]Ethyl]Phenol
• Synonyms: 3-[1-Hydroxy-2-[Methyl-(2-Nitrobenzyl)Amino]Ethyl]Phenol; Caged Phenylephrine; N-2-Nitrobenzylphenylephrine
• Molecular Formula: C₁₆H₁₈N₂O₄
• Molecular Weight: 302.33
• CAS Registry Number: 148589-31-5
• SMILES: C1=C(C(=CC=C1)[N+]([O-])=O)CN(CC(O)C2=CC=CC(=C2)O)C
• InChI: 1S/C16H18N2O4/c1-17(10-13-5-2-3-8-15(13)18(21)22)11-16(20)12-6-4-7-14(19)9-12/h2-9,16,19-20H,10-11H2,1H3
• InChIKey: FTHNMXWULMHUGX-UHFFFAOYSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 501.014°C at 760 mmHg (Cal.)
• Flash point: 256.804°C (Cal.)