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Molecule
Potassium Sulfamate
CAS: 13823-50-2 · H3KNO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13823-50-2
- Molecular Formula
- H3KNO3S
- Molecular Mass
- 136.19 g/mol
Identifiers
CAS Registry Number
13823-50-2
SMILES
NS(=O)(=O)O.[K]
InChI Key
VZSCRPZUYZTWDS-UHFFFAOYSA-N
InChI
InChI=1S/K.H3NO3S/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Potassium Sulfamate Synonym
- Sulfamic acid, potassium salt (1:1) Synonym
- Sulfamic acid, monopotassium salt Synonym
- Potassium sulfamate Synonym
- Monopotassium sulfamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.19 g/mol | CAS Common Chemistry |
| 136.19299999999998 g/mol | RDKit | |
| 136.193 g/mol | RDKit | |
| 137.194 g/mol | chempirical lib | |
| Density | 2.19 g/cm³ | CAS Common Chemistry |
| 2.19 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | [K].O=S(=O)(O)N | CAS Common Chemistry |
| InChI | InChI=1S/K.H3NO3S/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=VZSCRPZUYZTWDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium 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 |
| -1.6329 | RDKit | |
| Molar Refractivity | 21.490000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 135.947070636 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 = 136.19 g/mol; density = 2.190 g/mL. Edit any field — others recompute live.
