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Calcium Glycinate
CAS: 35947-07-0 | C2H5CaNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35947-07-0
Molecular Formula:
C2H5CaNO2
Molecular Mass:
115.15 g/mol
Names and Synonyms:
Calcium Glycinate
Glycine, calcium salt (2:1)
Calcium, bis(glycinato)-
Calcium glycinate
Calcium bisglycinate
Bis(glycinato)calcium
Calcium Chelazome
Identifiers:
SMILES:
NCC(=O)O.[Ca]
InChI:
InChI=1S/C2H5NO2.Ca/c3-1-2(4)5;/h1,3H2,(H,4,5);
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 | 115.15 g/mol | CAS Common Chemistry |
| 115.145 g/mol | RDKit | |
| 114.99461938 g/mol | RDKit | |
| Canonical SMILES | [Ca].O=C(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO2.Ca/c3-1-2(4)5;/h1,3H2,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=PBWPWIZUYLTJNF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium glycinate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | -1.3511000000000002 | RDKit |
| Molar Refractivity | 22.444200000000002 | RDKit |
