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Molecule
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 Mass
- 136.11 g/mol
Identifiers
CAS Registry Number
2582-30-1
SMILES
N=C(N)NN.O=C(O)O
InChI Key
OTXHZHQQWQTQMW-UHFFFAOYSA-N
InChI
InChI=1S/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4)
Names and Synonyms
- Aminoguanidine Bicarbonate Synonym
- Carbonic acid, compd. with hydrazinecarboximidamide (1:1) Synonym
- Carbonic acid, compd. with aminoguanidine (1:1) Synonym
- Guanidine, amino-, hydrogen carbonate Synonym
- Guanidine, amino-, bicarbonate Synonym
- Guanidine, amino-, carbonate (1:1) Synonym
- Hydrazinecarboximidamide, carbonate (1:1) Synonym
- Aminoguanidine bicarbonate Synonym
- Ba 51-090222 Synonym
- Aminoguanidinium bicarbonate Synonym
- Aminoguanidine hydrogen carbonate Synonym
- N1-Aminoguanidine carbonate (1:1) Synonym
- Aminoguanidine carbonate (1:1) Synonym
- 1-Aminoguanidine bicarbonate Synonym
- Aminoguanidinium hydrogen carbonate Synonym
- NSC 7887 Synonym
- Aminoguanidinium carbonate Synonym
- 1-Aminoguanidine hydrogen carbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.11 g/mol | CAS Common Chemistry |
| 136.111 g/mol | RDKit | |
| Canonical SMILES | O=C(O)O.N=C(N)NN | CAS Common Chemistry |
| InChI | InChI=1S/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=OTXHZHQQWQTQMW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 171.5-172.5 °C @ Solvent: Acetonitrile | CAS Common Chemistry |
| Name | Aminoguanidine bicarbonate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 145.45000000000002 Ų | RDKit |
| 145.45 Ų | RDKit | |
| 133.6 Ų | chempirical lib | |
| LogP | -1.4344299999999999 | RDKit |
| -1.4344 | RDKit | |
| Molar Refractivity | 29.890800000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 136.059640116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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.
External Resources
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MW = 136.11 g/mol. Edit any field — others recompute live.
