Back to Search
Molecule
Sodium Sarcosinate
CAS: 4316-73-8 · C3H7NNaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4316-73-8
- Molecular Formula
- C3H7NNaO2
- Molecular Mass
- 112.08 g/mol
Identifiers
CAS Registry Number
4316-73-8
SMILES
CNCC(=O)O.[Na]
InChI Key
REELSMJRRUUNKR-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);
Names and Synonyms
- Sodium Sarcosinate Synonym
- Glycine, N-methyl-, sodium salt (1:1) Synonym
- Sarcosine, monosodium salt Synonym
- Glycine, N-methyl-, monosodium salt Synonym
- Sarcosine sodium salt Synonym
- Sodium (methylamino)acetate Synonym
- Sodium sarcosinate Synonym
- Sodium N-methylglycinate Synonym
- Sodium N-(methylamino)acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.08 g/mol | CAS Common Chemistry |
| 112.08399999999997 g/mol | RDKit | |
| 112.084 g/mol | RDKit | |
| 113.092 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=REELSMJRRUUNKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium sarcosinate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | -1.0903999999999998 | RDKit |
| -1.0904 | RDKit | |
| Molar Refractivity | 27.316499999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 112.037447744 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 = 112.08 g/mol. Edit any field — others recompute live.
