1. Primary Information
| English name: | trans-1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid monohydrate |
| CAS No.: | 125572-95-4 |
| Molecular formula: | C14H24N2O9 |
| Molecular weight: | 364.35 g/mol |
| SMILES: | C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O |
| Structural class: | |
| Other identifiers: |
CDTA CDTA, calcium salt CDTA, calcium, sodium salt CDTA, magnesium, sodium salt CDTA, manganese (2-), disodium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | BR，98% | 32 | RT | in stock | - |
| Kehua Intelligence | 25g | BR，98% | 128 | RT | in stock | - |
| Kehua Intelligence | 100g | BR，98% | 312 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
4.2 InChI
InChI=1S/C14H22N2O8.H2O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/m1./s1
4.3 InChIKey
VASZYFIKPKYGNC-DHTOPLTISA-N
4.4 Canonical SMILES
C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O
4.5 Isomeric SMILES
C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O
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 --
