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| CAS No.: | 23911-26-4 |
|---|---|
| Name: | DIETHYLENETRIAMINEPENTAACETIC DIANHYDRIDE |
| Molecular Structure: | |
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| Formula: | C14H19N3O8 |
| Molecular Weight: | 375.335 |
| Synonyms: | 2,6-Morpholinedione,4,4'-[[(carboxymethyl)imino]diethylene]di- (8CI);Glycine,N,N-bis[2-(2,6-dioxomorpholino)ethyl]- (8CI);1,5-Bis(2,6-dioxomorpholino)-3-azapentane-3-acetic acid;Cyclic DTPA anhydride;DTPA cyclic anhydride;DTPA dianhydride;N,N-Bis[2-(2,6-dioxomorpholin-4-yl)ethyl]glycine;Diethylenetriamine-N,N,N',N'',N''-pentaacetic acid N,N''-dianhydride;Diethylenetriaminepentaacetic acid dianhydride;Diethylenetriaminepentaaceticbisanhydride;NSC 379317; |
| Density: | 1.46 g/cm3 |
| Melting Point: | 182-184 °C(lit.) |
| Boiling Point: | 656.2 °C at 760 mmHg |
| Flash Point: | 350.6 °C |
| Solubility: | Hydrolyzes in water. |
| Appearance: | white or cream white solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 133.76000 |
| LogP: | -2.98040 |
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Specification
The Glycine,N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]-, with the CAS registry number 23911-26-4, is also known as Diethylenetriamine-N,N,N',N'',N''-pentaacetic acid N,N''-dianhydride. It belongs to the product categories of Analytical Chemistry; Chelating Reagents; Complexones; EDTA Analogs; Ligands for Pharmaceutical Research; Magnetic Resonance Imaging (Chelating Reagents). This chemical's molecular formula is C14H19N3O8 and molecular weight is 357.32. What's more, its systematic name is N,N-bis[2-(2,6-dioxomorpholin-4-yl)ethyl]glycine. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. Moreover, it should be protected from oxides, water and moisture. It is used to synthetize big ring ligands and lanthanum elements complexs.
Physical properties of Glycine,N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]- are: (1)ACD/LogP: -2.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.57; (4)ACD/LogD (pH 7.4): -4.59; (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: 11; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 122.76 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 78.91 cm3; (15)Molar Volume: 244.6 cm3; (16)Polarizability: 31.28×10-24cm3; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.46 g/cm3; (19)Flash Point: 350.6 °C; (20)Enthalpy of Vaporization: 105.38 kJ/mol; (21)Boiling Point: 656.2 °C at 760 mmHg; (22)Vapour Pressure: 6.53E-19 mmHg at 25°C.
Preparation: this chemical can be prepared by N,N-bis-[2-(bis-carboxymethyl-amino)-ethyl]-glycine at the temperature of 55 - 60 °C. This reaction will need reagents Ac2O, pyridine with the reaction time of 3 hours. The yield is about 91%.
![Glycine,N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]- can be prepared by N,N-bis-[2-(bis-carboxymethyl-amino)-ethyl]-glycine at the temperature of 55 - 60 °C](/UserFilesUpload/Preparation of Glycine,N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]-.jpeg)
Uses of Glycine,N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]-: it can be used to produce diethylenetriaminepentaacetic acid bis(1-oxy-2,2,6,6-tetramethylpiperidinyl-4-amide) at the temperature of 70 °C. It will need solvents dimethylformamide, benzene with the reaction time of 3 hours. The yield is about 46%.
![Glycine,N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]- can be used to produce diethylenetriaminepentaacetic acid bis(1-oxy-2,2,6,6-tetramethylpiperidinyl-4-amide) at the temperature of 70 °C](/UserFilesUpload/Uses of Glycine,N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]-(1).jpeg)
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(=O)CN(CCN(CC(=O)O)CCN1CC(=O)OC(=O)C1)C2
(2)Std. InChI: InChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)
(3)Std. InChIKey: RAZLJUXJEOEYAM-UHFFFAOYSA-N