3-(1,3-Benzodioxol-5-Yl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
[CAS# 149520-06-9]

Identification

• Name: 3-(1,3-Benzodioxol-5-Yl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
• Synonyms: 3-(1,3-Benzodioxol-5-yl)-3-[(tert-butoxycarbonyl)-amino]propanoic acid; 3-(benzo[d][1,3]dioxol-5-yl)-3-((tert-butoxycarbonyl)amino)propanoic acid; 3-N-Boc-3-(3,4-Methylenedioxyphenyl)propionic acid
• Molecular Formula: C₁₅H₁₉NO₆
• Molecular Weight: 309.31
• CAS Registry Number: 149520-06-9
• SMILES: O=C(OC(C)(C)C)NC(c1ccc2OCOc2c1)CC(=O)O
• InChI: 1S/C15H19NO6/c1-15(2,3)22-14(19)16-10(7-13(17)18)9-4-5-11-12(6-9)21-8-20-11/h4-6,10H,7-8H2,1-3H3,(H,16,19)(H,17,18)
• InChIKey: UOQWIQGAZKFCDC-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Melting point: 158-160°C (Expl.)
• Boiling point: 481.43°C at 760 mmHg (Cal.)
• Flash point: 244.96°C (Cal.)
• Refractive index: 1.551 (Cal.)

Safety Data

• Safety Description: IRRITANT