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Ammonium Sulfamate
CAS: 7773-06-0 | H6N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7773-06-0
Molecular Formula:
H6N2O3S
Molecular Weight:
114.12599999999998 g/mol
Names and Synonyms:
Ammonium Sulfamate
Ammonium sulphamate
Sulfamic acid, ammonium salt (1:1)
Sulfamic acid, monoammonium salt
Ammat
Ammate X
Ammonium amidosulphate
Ammonium sulfamate
AMS
Ammonium amidosulfonate
Ammonium amidosulfate
AMS (salt)
Fyran 206K
Ikurin
Monoammonium sulfamate
Ammonium aminosulfonate
Feliderm K
Ammate
Fyran J 3
Bemiflame PF
Identifiers:
SMILES:
N.NS(=O)(=O)O
InChI:
InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3
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 | 114.13 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_sulfamate None | Legacy Database |
| cas-boiling-point | 160 °C None | Legacy Database |
| cas-canonical-smile | O=S(=O)(O)N.N None | Legacy Database |
| cas-inchi | InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GEHMBYLTCISYNY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 131 °C None | Legacy Database |
| cas-name | Ammonium sulfamate None | Legacy Database |
| wikipedia-name | Ammonium sulfamate None | Legacy Database |
| LogP | -1.0901 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.12599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.009913052 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 115.39 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.758100000000006 | RDKit |
