2-[[(2R)-3-(4-Aminophenyl)-2-(Bis(Carboxymethyl)Amino)Propyl]-[(2S)-2-(Bis(Carboxymethyl)Amino)Propyl]Amino]Acetic Acid Tetrahydrochloride
[CAS# 132979-67-0]

Identification

• Name: 2-[[(2R)-3-(4-Aminophenyl)-2-(Bis(Carboxymethyl)Amino)Propyl]-[(2S)-2-(Bis(Carboxymethyl)Amino)Propyl]Amino]Acetic Acid Tetrahydrochloride
• Synonyms: 2-[[(2R)-3-(4-Aminophenyl)-2-(Bis(Carboxymethyl)Amino)Propyl]-[(2S)-2-(Bis(Carboxymethyl)Amino)Propyl]Amino]Ethanoic Acid Tetrahydrochloride; 1-(4-Aminobenzyl)-4-Methyl-Dtpa; 1-(P-Aminobenzyl)-4-Methyl-Dtpa
• Molecular Formula: C₂₂H₃₆Cl₄N₄O₁₀
• Molecular Weight: 658.36
• CAS Registry Number: 132979-67-0
• SMILES: [C@H](N(CC(O)=O)CC(O)=O)(CN(C[C@@H](N(CC(O)=O)CC(O)=O)C)CC(O)=O)CC1=CC=C(N)C=C1.[H+].[H+].[H+].[H+].[Cl-].[Cl-].[Cl-].[Cl-]
• InChI: 1S/C22H32N4O10.4ClH/c1-14(25(10-19(29)30)11-20(31)32)7-24(9-18(27)28)8-17(6-15-2-4-16(23)5-3-15)26(12-21(33)34)13-22(35)36;;;;/h2-5,14,17H,6-13,23H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);4*1H/t14-,17+;;;;/m0..../s1
• InChIKey: DJOOTICPUOKBRV-GDNMUNFISA-N

Properties

• Boiling point: 838.4°C at 760 mmHg (Cal.)
• Flash point: 460.9°C (Cal.)