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Glycine, N,N′-1,2-Ethanediylbis[N-(Carboxymethyl)-, Sodium Salt, Hydrate (1:4:4)
CAS: 13235-36-4 | C10H24N2Na4O12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13235-36-4
Molecular Formula:
C10H24N2Na4O12
Molecular Mass:
456.26 g/mol
Names and Synonyms:
Glycine, N,N′-1,2-Ethanediylbis[N-(Carboxymethyl)-, Sodium Salt, Hydrate (1:4:4)
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt, hydrate (1:4:4)
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt, tetrahydrate
Ethylenediamine-N,N,N′,N′-tetraacetic acid tetrasodium salt, tetrahydrate
Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate
Ethylene diamine tetraacetic acid tetrasodium tetrahydrate
Identifiers:
SMILES:
O.O.O.O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na]
InChI:
InChI=1S/C10H16N2O8.4Na.4H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;4*1H2
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 | 456.26 g/mol | CAS Common Chemistry |
| 456.2640000000002 g/mol | RDKit | |
| 456.092001328 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8.4Na.4H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;4*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OHHLQFCWNFSQEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt, hydrate (1:4:4) | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 281.68 Ų | RDKit |
| LogP | -6.8932 | RDKit |
| Molar Refractivity | 100.89440000000002 | RDKit |
