4-Cyano-N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]Phenylalanine
[CAS# 265321-37-7]

Identification

• Name: 4-Cyano-N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]Phenylalanine
• Synonyms: (2S)-3-(4-cyanophenyl)-2-[(fluoren-9-ylmethoxy)carbonylamino]propanoic acid; (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-cyanophenyl)propanoic acid
• Molecular Formula: C₂₅H₂₀N₂O₄
• Molecular Weight: 412.44
• CAS Registry Number: 265321-37-7
• SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C#N)C(=O)O
• InChI: 1S/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
• InChIKey: JOPKKUTWCGYCDA-QHCPKHFHSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 190-192°C (Expl.)
• Boiling point: 678.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 364.3±31.5°C (Cal.)
• Refractive index: 1.672 (Cal.)
• solubility: 1 mmole in 2 ml DMF clearly soluble

Safety Data

• Safety Code: S36/37
• Risk Code: R20/21/22
• Hazard Symbol: X
• Safety Description: IRRITANT