Diethylenetriaminepentaacetic acid (67-43-6)

The IUPAC name of DTPA is 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid. With the CAS registry number 67-43-6, it is also named as Pentetic acid; Diethylenetriaminepentaacetic acid. The product's categories are analytical chemistry; chelating reagents; complexones; EDTA analogs; ligands for pharmaceutical research; rradiopharmaceutical chemistry (chelating reagents). It is white crystalline powder which is soluble in hot water and alkaline solution, slightly soluble in cold water, insoluble in ether and other organic solvents. This chemical is stable and incompatible with strong oxidizing agents. In addition, it can be obtained by Diethylenetriamine and chloroacetic acid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.72; (4)ACD/LogD (pH 7.4): -5.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 16; (12)Index of Refraction: 1.59; (13)Molar Refractivity: 85.89 cm³; (14)Molar Volume: 254.5 cm³; (15)Polarizability: 34.05×10^-24 cm³; (16)Surface Tension: 86 dyne/cm; (17)Enthalpy of Vaporization: 114.7 kJ/mol; (18)Vapour Pressure: 9.53E-23 mmHg at 25°C; (19)Rotatable Bond Count: 16; (20)Exact Mass: 393.138344; (21)MonoIsotopic Mass: 393.138344; (22)Topological Polar Surface Area: 196; (23)Heavy Atom Count: 27.

Uses of DTPA: It is efficient chelating agent, chelating strong, and is used for color inhibitor in the production of acrylon industry, water softener, textile auxiliaries, chelate titration agent. In addition, it reacts with ethanol to get Diethylentriaminpentaessigsaeurepentaethylester. This reaction needs reagent sulfonic acid by heating. The yield is 79 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. And it is harmful to aquatic organisms. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(O)CN(CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O;
2. InChI: InChI=1/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27).

The following are the toxicity data which has been tested.