Back to Search
Dtpa Dianhydride
CAS: 23911-26-4 | C14H19N3O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23911-26-4
Molecular Formula:
C14H19N3O8
Molecular Mass:
357.32 g/mol
Names and Synonyms:
Dtpa Dianhydride
Glycine, N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]-
Glycine, N,N-bis[2-(2,6-dioxomorpholino)ethyl]-
2,6-Morpholinedione, 4,4′-[[(carboxymethyl)imino]diethylene]di-
N,N-Bis[2-(2,6-dioxo-4-morpholinyl)ethyl]glycine
Diethylenetriaminepentaacetic dianhydride
1,5-Bis(2,6-dioxomorpholino)-3-azapentane-3-acetic acid
Cyclic DTPA anhydride
DTPA anhydride
Diethylenetriaminepentaacetic acid dianhydride
DTPA cyclic anhydride
Diethylenetriaminepentaacetic bisanhydride
DTPA dianhydride
Diethylenetriamine-N,N,N′,N′′,N′′-pentaacetic acid N,N′′-dianhydride
NSC 379317
DTPAA
Diethylenetriamine-N,N,N′,N′′,N′′-pentacetic dianhydride
2-[Bis[2-(2,6-dioxomorpholino)ethyl]amino]acetic acid
2-[Bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate
Identifiers:
SMILES:
O=C(O)CN(CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1
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)
Key Properties
Melting Point
209-211 °C @ Solvent: Water, Ethanol, Diethyl ether
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 357.32 g/mol | CAS Common Chemistry |
| 357.31900000000013 g/mol | RDKit | |
| 357.11721456799995 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN(CCN1CC(=O)OC(=O)C1)CCN2CC(=O)OC(=O)C2 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=RAZLJUXJEOEYAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 209-211 °C @ Solvent: Water, Ethanol, Diethyl ether | CAS Common Chemistry |
| Name | DTPA dianhydride | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 133.76000000000002 Ų | RDKit |
| LogP | -2.856199999999994 | RDKit |
| Molar Refractivity | 79.15380000000003 | RDKit |
