2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-(1-Pyrenyl)Propanoic Acid
[CAS# 126613-96-5]

Identification

• Name: 2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-(1-Pyrenyl)Propanoic Acid
• Synonyms: 1-Pyrenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-; 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(1-pyrenyl)propanoic acid (non-preferred name)
• Molecular Formula: C₂₄H₂₃NO₄
• Molecular Weight: 389.44
• CAS Registry Number: 126613-96-5
• SMILES: CC(C)(C)OC(=O)NC(Cc1ccc2ccc3cccc4c3c2c1cc4)C(=O)O
• InChI: 1S/C24H23NO4/c1-24(2,3)29-23(28)25-19(22(26)27)13-17-10-9-16-8-7-14-5-4-6-15-11-12-18(17)21(16)20(14)15/h4-12,19H,13H2,1-3H3,(H,25,28)(H,26,27)
• InChIKey: JDYATIJHVFTYFG-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 614.8±48.0°C at 760 mmHg (Cal.)
• Flash point: 325.6±29.6°C (Cal.)
• Refractive index: 1.702 (Cal.)