(2S)-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-(1-Pyrenyl)Propanoic Acid
[CAS# 100442-89-5]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: (2S)-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-(1-Pyrenyl)Propanoic Acid
• Synonyms: BOC-3-(1-PYRENYL)-L-ALANINE
• Molecular Formula: C₂₄H₂₃NO₄
• Molecular Weight: 389.44
• CAS Registry Number: 100442-89-5
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)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)/t19-/m0/s1
• InChIKey: JDYATIJHVFTYFG-IBGZPJMESA-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.)