Back to Search
Molecule
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
Identifiers
CAS Registry Number
35947-07-0
SMILES
NCC(=O)O.[Ca]
InChI Key
PBWPWIZUYLTJNF-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO2.Ca/c3-1-2(4)5;/h1,3H2,(H,4,5);
Names and Synonyms
- Calcium Glycinate Common Name
- Glycine, calcium salt (2:1) Synonym
- Calcium, bis(glycinato)- Synonym
- Calcium glycinate Synonym
- Calcium bisglycinate Synonym
- Bis(glycinato)calcium Synonym
- Calcium Chelazome Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.15 g/mol | CAS Common Chemistry |
| 115.145 g/mol | RDKit | |
| 117.161 g/mol | chempirical lib | |
| 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 |
| 63.32 Ų | RDKit | |
| LogP | -1.3511000000000002 | RDKit |
| -1.3511 | RDKit | |
| Molar Refractivity | 22.444200000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 114.99461938 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 115.15 g/mol. Edit any field — others recompute live.
