1. Primary Information
| English name: | Pentetic Acid |
| CAS No.: | 67-43-6 |
| Molecular formula: | C14H23N3O10 |
| Molecular weight: | 393.35 g/mol |
| SMILES: | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Structural class: | |
| Other identifiers: |
Ca-DTPA CaDTPA calcium trisodium pentetate CaNa-DTPA DETAPAC |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25g | AR，99% | 24 | RT | in stock | - |
| Kehua Intelligence | 100g | AR，99% | 40 | RT | in stock | - |
| Kehua Intelligence | 500g | AR，99% | 176 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
4.2 InChI
InChI=1S/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)
4.3 InChIKey
QPCDCPDFJACHGM-UHFFFAOYSA-N
4.4 Canonical SMILES
C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
