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Aminoguanidine Hydrochloride
CAS: 16139-18-7 | CH7ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16139-18-7
Molecular Formula:
CH7ClN4
Molecular Weight:
110.54800000000003 g/mol
Names and Synonyms:
Aminoguanidine Hydrochloride
Hydrazinecarboximidamide, hydrochloride (1:?)
Guanidine, amino-, hydrochloride
Hydrazinecarboximidamide, hydrochloride
Aminoguanidine hydrochloride
Amidinohydrazine hydrochloride
1-Aminoguanidine hydrochloride
Identifiers:
SMILES:
Cl.N=C(N)NN
InChI:
InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H
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 |
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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 | 110.54800000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 110.03592390399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 4 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 | 87.92 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2350300000000005 | RDKit |
| molecular_mass | 110.55 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N=C(N)NN None | Legacy Database |
| cas-inchi | InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H None | Legacy Database |
| cas-inchi-key | InChIKey=UBDZFAGVPPMTIT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 160-162 °C (decomp) None | Legacy Database |
| cas-name | Aminoguanidine hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.48520000000001 | RDKit |
