4-Methyl-1-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-Cyclohexene-1-Carboxylic Acid
[CAS# 289914-86-9]

Identification

• Name: 4-Methyl-1-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-Cyclohexene-1-Carboxylic Acid
• Synonyms: 1-((tert-butoxycarbonyl)amino)-4-methylcyclohex-3-enecarboxylic acid; 1-(tert-Butoxycarbonylamino)-4-methylcyclohex-3-ene-1-carboxylic acid; 1-Amino-4-methylcyclohex-3-ene-1-carboxylic acid, N-BOC protected
• Molecular Formula: C₁₃H₂₁NO₄
• Molecular Weight: 255.31
• CAS Registry Number: 289914-86-9
• SMILES: CC1=CCC(CC1)(C(=O)O)NC(=O)OC(C)(C)C
• InChI: 1S/C13H21NO4/c1-9-5-7-13(8-6-9,10(15)16)14-11(17)18-12(2,3)4/h5H,6-8H2,1-4H3,(H,14,17)(H,15,16)
• InChIKey: QHRVAAFYUFUMGU-UHFFFAOYSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 401.937°C at 760 mmHg (Cal.)
• Flash point: 196.885°C (Cal.)
• Refractive index: 1.51 (Cal.)