alpha-[[(1,1-Dimethylethoxy)Carbonyl]Amino]Cyclohexa-1,4-Diene-1-Acetic Acid
[CAS# 57410-95-4]

Identification

• Name: alpha-[[(1,1-Dimethylethoxy)Carbonyl]Amino]Cyclohexa-1,4-Diene-1-Acetic Acid
• Synonyms: 2-(Tert-Butoxycarbonylamino)-2-(1-Cyclohexa-1,4-Dienyl)Acetic Acid; 2-[(Tert-Butoxy-Oxomethyl)Amino]-2-(1-Cyclohexa-1,4-Dienyl)Acetic Acid; 2-(1-Cyclohexa-1,4-Dienyl)-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Ethanoic Acid
• Molecular Formula: C₁₃H₁₉NO₄
• Molecular Weight: 253.30
• CAS Registry Number: 57410-95-4
• EINECS: 260-722-9
• SMILES: CC(OC(=O)NC(C1=CCC=CC1)C(=O)O)(C)C
• InChI: 1S/C13H19NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-5,8,10H,6-7H2,1-3H3,(H,14,17)(H,15,16)
• InChIKey: VAJQVCXAZPZIGP-UHFFFAOYSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 399.989°C at 760 mmHg (Cal.)
• Flash point: 195.707°C (Cal.)