4-[(1-Adamantylcarbonyl)Amino]Benzoic Acid
[CAS# 62144-92-7]

Identification

• Name: 4-[(1-Adamantylcarbonyl)Amino]Benzoic Acid
• Synonyms: 4-[(1-Adamantyl-Oxomethyl)Amino]Benzoate; 4-(1-Adamantylcarbonylamino)Benzoate; Zinc04204757
• Molecular Formula: C₁₈H₂₀NO₃
• Molecular Weight: 298.36
• CAS Registry Number: 62144-92-7
• SMILES: C4=C(NC(=O)C12CC3CC(C1)CC(C2)C3)C=CC(=C4)C([O-])=O
• InChI: 1S/C18H21NO3/c20-16(21)14-1-3-15(4-2-14)19-17(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,19,22)(H,20,21)/p-1
• InChIKey: RXUAHMQUGGEWOB-UHFFFAOYSA-M

Properties

• Boiling point: 537.762°C at 760 mmHg (Cal.)
• Flash point: 279.029°C (Cal.)