3-[(2,4-Dinitrophenyl)Amino]-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Alanine
[CAS# 214750-67-1]

Identification

• Name: 3-[(2,4-Dinitrophenyl)Amino]-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Alanine
• Synonyms: (S)-2-((tert-Butoxycarbonyl)amino)-3-((2,4-dinitrophenyl)amino)propanoic acid; 3-[(2,4-Dinitrophenyl)amino]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanin; 3-[(2,4-Dinitrophenyl)amino]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine
• Molecular Formula: C₁₄H₁₈N₄O₈
• Molecular Weight: 370.31
• CAS Registry Number: 214750-67-1
• SMILES: CC(C)(C)OC(=O)N[C@@H](CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
• InChI: 1S/C14H18N4O8/c1-14(2,3)26-13(21)16-10(12(19)20)7-15-9-5-4-8(17(22)23)6-11(9)18(24)25/h4-6,10,15H,7H2,1-3H3,(H,16,21)(H,19,20)/t10-/m0/s1
• InChIKey: XKHQTCSLBRZQAC-JTQLQIEISA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 615.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 326.0±31.5°C (Cal.)
• Refractive index: 1.607 (Cal.)

Safety Data

• Safety Description: IRRITANT