Back to Search
Sodium (Hydroxymethyl)Glycinate
CAS: 70161-44-3 | C3H7NNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
70161-44-3
Molecular Formula:
C3H7NNaO3
Molecular Weight:
128.083 g/mol
Names and Synonyms:
Sodium (Hydroxymethyl)Glycinate
Integra 44
Nuosept 44
Sodium (hydroxymethyl)glycinate
Suttocide A
Glycine, N-(hydroxymethyl)-, monosodium salt
Glycine, N-(hydroxymethyl)-, sodium salt (1:1)
Identifiers:
SMILES:
O=C(O)CNCO.[Na]
InChI:
InChI=1S/C3H7NO3.Na/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.083 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.03236236400002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 69.56 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.7703999999999998 | RDKit |
| molecular_mass | 128.08 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)CNCO None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NO3.Na/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7); None | Legacy Database |
| cas-inchi-key | InChIKey=XVIFKRWLOQOKMV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium (hydroxymethyl)glycinate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.478299999999997 | RDKit |
