Adamantan-1-Yl 4-[(2,5-Dihydroxybenzyl)Amino]Benzoate
[CAS# 241127-58-2]

Identification

• Name: Adamantan-1-Yl 4-[(2,5-Dihydroxybenzyl)Amino]Benzoate
• Synonyms: [241127-58-2]; 4-(2,5-dihydroxy-benzylamino)-benzoic acid adamantan-1-yl ester; 4-[[(2,5-Dihydroxyphenyl)methyl]amino]benzoic acid tricyclo[3.3.1.13,7]dec-1-yl ester
• Molecular Formula: C₂₄H₂₇NO₄
• Molecular Weight: 393.48
• CAS Registry Number: 241127-58-2
• SMILES: C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O
• InChI: 1S/C24H27NO4/c26-21-5-6-22(27)19(10-21)14-25-20-3-1-18(2-4-20)23(28)29-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,25-27H,7-9,11-14H2
• InChIKey: YJZSUCFGHXQWDM-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 606.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 320.4±30.1°C (Cal.)
• Refractive index: 1.662 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol