TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID

The TTHA is an organic compound with the formula C₁₈H₃₀N₄O₁₂. The IUPAC name of this chemical is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid. With the CAS registry number 869-52-3, it is also named as Triethylenetetranitrilohexaacetic Acid. The product's categories are Analytical Chemistry; Chelating Reagents; Complexones; EDTA Analogs. Besides, it should be stored in a closed cool and dry place.

Physical properties about TTHA are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.81; (4)ACD/LogD (pH 7.4): -6.41; (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: 16; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 170.76 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 109.71 cm³; (15)Molar Volume: 322.4 cm³; (16)Polarizability: 43.49×10^-24cm³; (17)Surface Tension: 85.9 dyne/cm; (18)Density: 1.533 g/cm³; (19)Flash Point: 448.7 °C; (20)Enthalpy of Vaporization: 129.22 kJ/mol; (21)Boiling Point: 818.3 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-29 mmHg at 25°C.

Uses of TTHA: it can be used to produce triethylenetetraaminehexaacetic acid dianhydride at temperature of 45 - 48 °C. It will need reagent Ac₂O and solvent pyridine with reaction time of 2 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN(CC(=O)O)CCN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
(2)InChI: InChI=1/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)
(3)InChIKey: RAEOEMDZDMCHJA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)
(5)Std. InChIKey: RAEOEMDZDMCHJA-UHFFFAOYSA-N