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Sulfamic Acid
CAS: 5329-14-6 | H3NO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5329-14-6
Molecular Formula:
H3NO3S
Molecular Weight:
97.09499999999998 g/mol
Names and Synonyms:
Sulfamic Acid
Sulfamic acid
Amidosulfuric acid
Aminosulfonic acid
Sulfamidic acid
Sulphamic acid
Amidosulfonic acid
Aminosulfuric acid
Jumbo
Aminesulfonic acid
Sulfaminic acid
Scale Cleen
Alprojet W
NSC 1871
Steradent Active Plus
Identifiers:
SMILES:
NS(=O)(=O)O
InChI:
InChI=1S/H3NO3S/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 97.10 g/mol | Legacy Database |
| density | 2.15 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sulfamic_acid None | Legacy Database |
| cas-canonical-smile | O=S(=O)(O)N None | Legacy Database |
| cas-density | 2.15 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=IIACRCGMVDHOTQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 205 °C None | Legacy Database |
| cas-name | Sulfamic acid None | Legacy Database |
| wikipedia-name | Sulfamic acid None | Legacy Database |
| LogP | -1.2520999999999995 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 97.09499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 96.983363956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.736 | RDKit |
