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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 Mass:
110.55 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
Key Properties
Melting Point
160-162 °C (decomp)
CAS Common Chemistry
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 | 110.55 g/mol | CAS Common Chemistry |
| 110.54800000000003 g/mol | RDKit | |
| 110.03592390399999 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 26.48520000000001 | RDKit |
