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Molecule
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 Mass
- 97.10 g/mol
Identifiers
CAS Registry Number
5329-14-6
SMILES
NS(=O)(=O)O
InChI Key
IIACRCGMVDHOTQ-UHFFFAOYSA-N
InChI
InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Names and Synonyms
- Sulfamic Acid Synonym
- Sulfamic acid Synonym
- Amidosulfuric acid Synonym
- Aminosulfonic acid Synonym
- Sulfamidic acid Synonym
- Sulphamic acid Synonym
- Amidosulfonic acid Synonym
- Aminosulfuric acid Synonym
- Jumbo Synonym
- Aminesulfonic acid Synonym
- Sulfaminic acid Synonym
- Scale Cleen Synonym
- Alprojet W Synonym
- NSC 1871 Synonym
- Steradent Active Plus Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.10 g/mol | CAS Common Chemistry |
| 97.09499999999998 g/mol | RDKit | |
| 97.095 g/mol | RDKit | |
| 97.088 g/mol | chempirical lib | |
| Density | 2.15 g/cm³ | CAS Common Chemistry |
| 2.15 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfamic_acid | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)N | CAS Common Chemistry |
| InChI | InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=IIACRCGMVDHOTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205 °C | CAS Common Chemistry |
| Name | Sulfamic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | -1.2520999999999995 | RDKit |
| -1.2521 | RDKit | |
| Molar Refractivity | 15.736 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 96.983363956 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
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Quick conversion
MW = 97.10 g/mol; density = 2.150 g/mL. Edit any field — others recompute live.
