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Guanidine Sulfamate
CAS: 51528-20-2 | CH8N4O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51528-20-2
Molecular Formula:
CH8N4O3S
Molecular Mass:
156.17 g/mol
Names and Synonyms:
Guanidine Sulfamate
Sulfamic acid, compd. with guanidine (1:1)
Guanidine, monosulfamate
Guanidine sulfamate
Apinon 101
SG 2
SG 2 (fireproofing agent)
Guanidine sulfamic acid
Apinon 145
Identifiers:
SMILES:
N=C(N)N.NS(=O)(=O)O
InChI:
InChI=1S/CH5N3.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(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 | 156.17 g/mol | CAS Common Chemistry |
| 156.167 g/mol | RDKit | |
| 156.031711116 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)N.N=C(N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH5N3.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=LNEUSAPFBRDCPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Guanidine sulfamate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 156.27999999999997 Ų | RDKit |
| LogP | -2.4135300000000006 | RDKit |
| Molar Refractivity | 31.83750000000001 | RDKit |
