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Molecule
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
- 203.963 g/mol
Identifiers
CAS Registry Number
20150-34-9
SMILES
NCC(=O)[O-].NCC(=O)[O-].[Fe+2]
InChI Key
GIPOFCXYHMWROH-UHFFFAOYSA-L
InChI
InChI=1S/2C2H5NO2.Fe/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2
Names and Synonyms
- Ferrous Glycinate Common Name
- Iron, bis(glycinato-κN,κO)- Synonym
- Iron, bis(glycinato)- Synonym
- Iron, bis(glycinato-N,O)- Synonym
- Bis(glycinato-κN,κO)iron Synonym
- Iron preparation SE Synonym
- Bis(glycinato)iron Synonym
- Ferrochel Synonym
- Fechel Synonym
- Ferrous bisglycinate Synonym
- Iron glycinate Synonym
- Ferrous glycinate Synonym
- B-Traxim 2C Fe Synonym
- Iron bisglycinate Synonym
- Iron(2+) glycinate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 203.963 g/mol | RDKit |
| 203.983344236 g/mol | RDKit | |
| 207.995 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 203.96 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 203.96 g/mol. Edit any field — others recompute live.
