(3S)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-(4-Pyridinyl)Butanoic Acid
[CAS# 219297-13-9]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: (3S)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-(4-Pyridinyl)Butanoic Acid
• Synonyms: (S)-3-(Boc-amino)-4-(4-pyridyl)butyric acid; (S)-Boc-4-(4-pyridyl)-β-Homoala-OH; Boc-(4-pyridyl)-L-β-homoalanine
• Molecular Formula: C₁₄H₂₀N₂O₄
• Molecular Weight: 280.32
• CAS Registry Number: 219297-13-9
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)CC(=O)O
• InChI: 1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(9-12(17)18)8-10-4-6-15-7-5-10/h4-7,11H,8-9H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
• InChIKey: BYTKQINZDKLYGV-NSHDSACASA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 140-143°C (Expl.)
• Boiling point: 471.2±40.0°C at 760 mmHg (Cal.)
• Flash point: 238.8±27.3°C (Cal.)
• Refractive index: 1.526 (Cal.)

Safety Data

• Safety Description: IRRITANT