(3S)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-(3-Pyridinyl)Butanoic Acid
[CAS# 208404-16-4]

Identification

• Name: (3S)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-(3-Pyridinyl)Butanoic Acid
• Synonyms: Boc-(3-pyridyl)-L-β-homoalanine; Boc-(S)-3-Amino-4-(3-pyridyl)butanoicacid; Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid
• Molecular Formula: C₁₄H₂₀N₂O₄
• Molecular Weight: 280.32
• CAS Registry Number: 208404-16-4
• SMILES: O=C(OC(C)(C)C)N[C@@H](Cc1cccnc1)CC(=O)O
• InChI: 1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(8-12(17)18)7-10-5-4-6-15-9-10/h4-6,9,11H,7-8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
• InChIKey: JSWWEGRTQTXLFX-NSHDSACASA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 469.883°C at 760 mmHg (Cal.)
• Flash point: 237.977°C (Cal.)
• Refractive index: 1.526 (Cal.)

Safety Data

• Safety Description: IRRITANT