Methyl 3-({[4-(adamantan-2-yl)phenoxy]acetyl}amino)-4-hydroxybenzoate
[CAS# 934593-90-5]

Identification

• Name: Methyl 3-({[4-(adamantan-2-yl)phenoxy]acetyl}amino)-4-hydroxybenzoate
• Synonyms: "4-hydroxy-3-[[2-(4-tricyclo[3.3.1.13,7]dec-1-ylphenoxy)acetyl]amino]-benzoic acid, methyl ester"; 4-hydroxy-3-[[2-(4-tricyclo[3.3.1.13,7]dec-1-ylphenoxy)acetyl]amino]-benzoic acid, methyl ester; CAY10585
• Molecular Formula: C₂₆H₂₉NO₅
• Molecular Weight: 435.51
• CAS Registry Number: 934593-90-5
• SMILES: COC(=O)c1ccc(c(c1)NC(=O)COc2ccc(cc2)C3C4CC5CC(C4)CC3C5)O
• InChI: 1S/C26H29NO5/c1-31-26(30)18-4-7-23(28)22(13-18)27-24(29)14-32-21-5-2-17(3-6-21)25-19-9-15-8-16(11-19)12-20(25)10-15/h2-7,13,15-16,19-20,25,28H,8-12,14H2,1H3,(H,27,29)
• InChIKey: CSCOJWVRGOZGPK-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 655.477°C at 760 mmHg (Cal.)
• Flash point: 350.22°C (Cal.)
• Refractive index: 1.625 (Cal.)