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Ferrous Glycinate
CAS: 20150-34-9 | C4H8FeN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20150-34-9
Molecular Formula:
C4H8FeN2O4
Molecular Mass:
203.96 g/mol
Names and Synonyms:
Ferrous Glycinate
Iron, bis(glycinato-κN,κO)-
Iron, bis(glycinato)-
Iron, bis(glycinato-N,O)-
Bis(glycinato-κN,κO)iron
Iron preparation SE
Bis(glycinato)iron
Ferrochel
Fechel
Ferrous bisglycinate
Iron glycinate
Ferrous glycinate
B-Traxim 2C Fe
Iron bisglycinate
Iron(2+) glycinate
Identifiers:
SMILES:
NCC(=O)[O-].NCC(=O)[O-].[Fe+2]
InChI:
InChI=1S/2C2H5NO2.Fe/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2
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 | 203.96 g/mol | CAS Common Chemistry |
| 203.963 g/mol | RDKit | |
| 203.983344236 g/mol | RDKit | |
| Canonical SMILES | O=C1[O-][Fe+2]2([O-]C(=O)C[NH2]2)[NH2]C1 | CAS Common Chemistry |
| InChI | InChI=1S/2C2H5NO2.Fe/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=GIPOFCXYHMWROH-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Ferrous glycinate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 132.3 Ų | RDKit |
| LogP | -4.6125 | RDKit |
| Molar Refractivity | 28.1228 | RDKit |
