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Aminoguanidine Bicarbonate
CAS: 2582-30-1 | C2H8N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2582-30-1
Molecular Formula:
C2H8N4O3
Molecular Weight:
136.111 g/mol
Names and Synonyms:
Aminoguanidine Bicarbonate
Carbonic acid, compd. with hydrazinecarboximidamide (1:1)
Carbonic acid, compd. with aminoguanidine (1:1)
Guanidine, amino-, hydrogen carbonate
Guanidine, amino-, bicarbonate
Guanidine, amino-, carbonate (1:1)
Hydrazinecarboximidamide, carbonate (1:1)
Aminoguanidine bicarbonate
Ba 51-090222
Aminoguanidinium bicarbonate
Aminoguanidine hydrogen carbonate
N1-Aminoguanidine carbonate (1:1)
Aminoguanidine carbonate (1:1)
1-Aminoguanidine bicarbonate
Aminoguanidinium hydrogen carbonate
NSC 7887
Aminoguanidinium carbonate
1-Aminoguanidine hydrogen carbonate
Identifiers:
SMILES:
N=C(N)NN.O=C(O)O
InChI:
InChI=1S/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4)
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
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.111 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.059640116 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 6 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 | 145.45000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.4344299999999999 | RDKit |
| molecular_mass | 136.11 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)O.N=C(N)NN None | Legacy Database |
| cas-inchi | InChI=1S/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=OTXHZHQQWQTQMW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 171.5-172.5 °C @ Solvent: Acetonitrile None | Legacy Database |
| cas-name | Aminoguanidine bicarbonate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.890800000000006 | RDKit |
