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Sodium Sulfamate
CAS: 13845-18-6 | H3NNaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13845-18-6
Molecular Formula:
H3NNaO3S
Molecular Weight:
120.08499999999998 g/mol
Names and Synonyms:
Sodium Sulfamate
Sulfamic acid, sodium salt (1:1)
Sulfamic acid, monosodium salt
Sodium sulfamate
Sodium amidosulfate
Sodium aminosulfonate
Identifiers:
SMILES:
NS(=O)(=O)O.[Na]
InChI:
InChI=1S/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4);
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 | 120.08499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.97313323600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 80.39 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.6328999999999994 | RDKit |
| molecular_mass | 120.09 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)N None | Legacy Database |
| cas-inchi | InChI=1S/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=ZCJHFOLNXNSZJG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium sulfamate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.490000000000002 | RDKit |
