2-[2-[[5-[(2-Bromoacetyl)Amino]-2-Hydroxyphenyl]Methyl-(Carboxymethyl)Amino]Ethyl-[(2-Hydroxy-3,5-Dimethylphenyl)Methyl]Amino]Acetic Acid
[CAS# 126753-16-0]

Identification

• Name: 2-[2-[[5-[(2-Bromoacetyl)Amino]-2-Hydroxyphenyl]Methyl-(Carboxymethyl)Amino]Ethyl-[(2-Hydroxy-3,5-Dimethylphenyl)Methyl]Amino]Acetic Acid
• Synonyms: 2-[2-[[5-[(2-Bromoacetyl)Amino]-2-Hydroxy-Phenyl]Methyl-(Carboxymethyl)Amino]Ethyl-[(2-Hydroxy-3,5-Dimethyl-Phenyl)Methyl]Amino]Acetic Acid; 2-[2-[[5-[(2-Bromo-1-Oxoethyl)Amino]-2-Hydroxyphenyl]Methyl-(Carboxymethyl)Amino]Ethyl-[(2-Hydroxy-3,5-Dimethylphenyl)Methyl]Amino]Acetic Acid; 2-[2-[[5-[(2-Bromoacetyl)Amino]-2-Hydroxy-Benzyl]-(Carboxymethyl)Amino]Ethyl-(2-Hydroxy-3,5-Dimethyl-Benzyl)Amino]Acetic Acid
• Molecular Formula: C₂₄H₃₀BrN₃O₇
• Molecular Weight: 552.42
• CAS Registry Number: 126753-16-0
• SMILES: C1=C(C(=C(C=C1C)C)O)CN(CCN(CC2=CC(=CC=C2O)NC(=O)CBr)CC(=O)O)CC(=O)O
• InChI: 1S/C24H30BrN3O7/c1-15-7-16(2)24(35)18(8-15)12-28(14-23(33)34)6-5-27(13-22(31)32)11-17-9-19(3-4-20(17)29)26-21(30)10-25/h3-4,7-9,29,35H,5-6,10-14H2,1-2H3,(H,26,30)(H,31,32)(H,33,34)
• InChIKey: TYGKKGMYKKRIJH-UHFFFAOYSA-N

Properties

• Density: 1.528g/cm³ (Cal.)
• Boiling point: 763.112°C at 760 mmHg (Cal.)
• Flash point: 415.315°C (Cal.)