5-[[(2,5-Dihydroxyphenyl)Methyl][(2-Hydroxyphenyl)Methyl]Amino]-2-Hydroxy-Benzoic Acid
[CAS# 125697-92-9]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: 5-[[(2,5-Dihydroxyphenyl)Methyl][(2-Hydroxyphenyl)Methyl]Amino]-2-Hydroxy-Benzoic Acid
• Synonyms: 5-[(2,5-Dihydroxyphenyl)Methyl-[(2-Hydroxyphenyl)Methyl]Amino]-2-Hydroxy-Benzoic Acid; 5-[(2,5-Dihydroxybenzyl)-(2-Hydroxybenzyl)Amino]-2-Hydroxy-Benzoic Acid; Kbiogr_000531
• Molecular Formula: C₂₁H₁₉NO₆
• Molecular Weight: 381.38
• CAS Registry Number: 125697-92-9
• SMILES: C1=C(C(=CC=C1N(CC2=CC(=CC=C2O)O)CC3=CC=CC=C3O)O)C(O)=O
• InChI: 1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)
• InChIKey: ULTTYPMRMMDONC-UHFFFAOYSA-N

Properties

• Density: 1.495g/cm³ (Cal.)
• Boiling point: 741.687°C at 760 mmHg (Cal.)
• Flash point: 402.358°C (Cal.)
• solubility: Soluble to 25 mM in ethanol and to 25 mM in DMSO