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Molecule
Dtpa Dianhydride
CAS: 23911-26-4 · C14H19N3O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23911-26-4
- Molecular Formula
- C14H19N3O8
- Molecular Mass
- 357.32 g/mol
Identifiers
CAS Registry Number
23911-26-4
SMILES
O=C(O)CN(CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1
InChI Key
RAZLJUXJEOEYAM-UHFFFAOYSA-N
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)
Names and Synonyms
- Dtpa Dianhydride Common Name
- Glycine, N,N-bis[2-(2,6-dioxo-4-morpholinyl)ethyl]- Synonym
- Glycine, N,N-bis[2-(2,6-dioxomorpholino)ethyl]- Synonym
- 2,6-Morpholinedione, 4,4′-[[(carboxymethyl)imino]diethylene]di- Synonym
- N,N-Bis[2-(2,6-dioxo-4-morpholinyl)ethyl]glycine Synonym
- Diethylenetriaminepentaacetic dianhydride Synonym
- 1,5-Bis(2,6-dioxomorpholino)-3-azapentane-3-acetic acid Synonym
- Cyclic DTPA anhydride Synonym
- DTPA anhydride Synonym
- Diethylenetriaminepentaacetic acid dianhydride Synonym
- DTPA cyclic anhydride Synonym
- Diethylenetriaminepentaacetic bisanhydride Synonym
- DTPA dianhydride Synonym
- Diethylenetriamine-N,N,N′,N′′,N′′-pentaacetic acid N,N′′-dianhydride Synonym
- NSC 379317 Synonym
- DTPAA Synonym
- Diethylenetriamine-N,N,N′,N′′,N′′-pentacetic dianhydride Synonym
- 2-[Bis[2-(2,6-dioxomorpholino)ethyl]amino]acetic acid Synonym
- 2-[Bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 357.32 g/mol | CAS Common Chemistry |
| 357.31900000000013 g/mol | RDKit | |
| 357.319 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 |
| 133.76 Ų | RDKit | |
| 133.07 Ų | chempirical lib | |
| LogP | -2.856199999999994 | RDKit |
| -2.8562 | RDKit | |
| Molar Refractivity | 79.15380000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6429 | RDKit |
| 0.64 | chempirical lib | |
| Exact Mass | 357.11721456799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 357.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H19N3O8.
