3-(4-Isopropylphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
[CAS# 453557-73-8]

Identification

• Name: 3-(4-Isopropylphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
• Synonyms: 3-((tert-butoxycarbonyl)amino)-3-(4-isopropylphenyl)propanoic acid; 3-(Boc-amino)-3-(4-isopropylphenyl)propionic Acid; 3-[(tert-Butoxycarbonyl)amino]-3-(4-isopropylphenyl)propanoicacid
• Molecular Formula: C₁₇H₂₅NO₄
• Molecular Weight: 307.38
• CAS Registry Number: 453557-73-8
• SMILES: O=C(OC(C)(C)C)NC(c1ccc(cc1)C(C)C)CC(=O)O
• InChI: 1S/C17H25NO4/c1-11(2)12-6-8-13(9-7-12)14(10-15(19)20)18-16(21)22-17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)(H,19,20)
• InChIKey: ZLUXRQGEUCGUFS-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Melting point: 125-128°C (Expl.)
• Boiling point: 451.894°C at 760 mmHg (Cal.)
• Flash point: 227.098°C (Cal.)
• Refractive index: 1.519 (Cal.)

Safety Data

• Safety Description: IRRITANT