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Molecule
Aminoguanidine Hydrochloride
CAS: 16139-18-7 · CH7ClN4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16139-18-7
- Molecular Formula
- CH7ClN4
- Molecular Mass
- 110.55 g/mol
Identifiers
CAS Registry Number
16139-18-7
SMILES
Cl.N=C(N)NN
InChI Key
UBDZFAGVPPMTIT-UHFFFAOYSA-N
InChI
InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H
Names and Synonyms
- Aminoguanidine Hydrochloride Synonym
- Hydrazinecarboximidamide, hydrochloride (1:?) Synonym
- Guanidine, amino-, hydrochloride Synonym
- Hydrazinecarboximidamide, hydrochloride Synonym
- Aminoguanidine hydrochloride Synonym
- Amidinohydrazine hydrochloride Synonym
- 1-Aminoguanidine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.55 g/mol | CAS Common Chemistry |
| 110.54800000000003 g/mol | RDKit | |
| 110.548 g/mol | RDKit | |
| 110.545 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N=C(N)NN | CAS Common Chemistry |
| InChI | InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H | CAS Common Chemistry |
| InChI Key | InChIKey=UBDZFAGVPPMTIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160-162 °C (decomp) | CAS Common Chemistry |
| Name | Aminoguanidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 87.92 Ų | RDKit |
| LogP | -1.2350300000000005 | RDKit |
| -1.235 | RDKit | |
| Molar Refractivity | 26.48520000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 110.03592390399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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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MW = 110.55 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH7ClN4.
