2-[Carboxylatomethyl-[(3,4-dihydroxy-9,10-dioxo-anthracen-2-yl)methyl]ammonio]acetate
[CAS# 455303-00-1]

Identification

• Name: 2-[Carboxylatomethyl-[(3,4-dihydroxy-9,10-dioxo-anthracen-2-yl)methyl]ammonio]acetate
• Synonyms: 2-[(3,4-Dihydroxy-9,10-Dioxo-2-Anthryl)Methyl-(2-Oxido-2-Oxo-Ethyl)Ammonio]Acetate; 2-[(3,4-Dihydroxy-9,10-Dioxo-2-Anthryl)Methyl-(2-Oxido-2-Oxoethyl)Ammonio]Acetate; 2-[(3,4-Dihydroxy-9,10-Diketo-2-Anthryl)Methyl-(2-Keto-2-Oxido-Ethyl)Ammonio]Acetate
• Molecular Formula: C₁₉H₁₄NO₈
• Molecular Weight: 384.32
• CAS Registry Number: 455303-00-1
• SMILES: C1=C(C[NH+](CC([O-])=O)CC([O-])=O)C(=C(O)C3=C1C(=O)C2=CC=CC=C2C3=O)O
• InChI: 1S/C19H15NO8/c21-13(22)7-20(8-14(23)24)6-9-5-12-15(19(28)16(9)25)18(27)11-4-2-1-3-10(11)17(12)26/h1-5,25,28H,6-8H2,(H,21,22)(H,23,24)/p-1
• InChIKey: PWIGYBONXWGOQE-UHFFFAOYSA-M

Properties

• Boiling point: 687.147°C at 760 mmHg (Cal.)
• Flash point: 369.374°C (Cal.)