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Guanidinium Chloride
CAS: 50-01-1 | CH6ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-01-1
Molecular Formula:
CH6ClN3
Molecular Weight:
95.53300000000003 g/mol
Names and Synonyms:
Guanidinium Chloride
Common Name
Buffer AL
Synonym
Guanidine hydrochloride
Synonym
Guanidinium hydrochloride
Synonym
Guanidine chloride
Synonym
Guanidinium chloride
Synonym
Guanidine, monohydrochloride
Synonym
Guanidine, hydrochloride (1:1)
Synonym
Identifiers:
SMILES:
Cl.N=C(N)N
InChI:
InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);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 |
|---|
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 95.53 g/mol | Legacy Database |
| density | 1.30 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Guanidinium_chloride None | Legacy Database |
| cas-canonical-smile | Cl.N=C(N)N None | Legacy Database |
| cas-density | 1.3 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H None | Legacy Database |
| cas-inchi-key | InChIKey=PJJJBBJSCAKJQF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 178 °C None | Legacy Database |
| cas-name | Guanidine hydrochloride None | Legacy Database |
| wikipedia-name | Guanidinium chloride None | Legacy Database |
| LogP | -0.73963 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 95.53300000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.02502487199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 75.89 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.349500000000006 | RDKit |