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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 Mass:
120.09 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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.09 g/mol | CAS Common Chemistry |
| 120.08499999999998 g/mol | RDKit | |
| 119.97313323600001 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)N | CAS Common Chemistry |
| InChI | InChI=1S/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=ZCJHFOLNXNSZJG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium sulfamate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.39 Ų | RDKit |
| LogP | -1.6328999999999994 | RDKit |
| Molar Refractivity | 21.490000000000002 | RDKit |
