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Guanidinium Chloride
CAS: 50-01-1 | CH6ClN3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
50-01-1
Molecular Formula:
CH6ClN3
Molecular Mass:
95.53 g/mol
Names and Synonyms:
Guanidinium Chloride
Guanidine, hydrochloride (1:1)
Guanidine, monohydrochloride
Guanidinium chloride
Guanidine chloride
Guanidinium hydrochloride
Guanidine hydrochloride
Buffer AL
Identifiers:
SMILES:
Cl.N=C(N)N
InChI:
InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
Key Properties
Melting Point
178 °C
CAS Common Chemistry
Density
1.30 g/cm³
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 | 95.53 g/mol | CAS Common Chemistry |
| 95.53300000000003 g/mol | RDKit | |
| 95.02502487199999 g/mol | RDKit | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Guanidinium_chloride | CAS Common Chemistry |
| Canonical SMILES | Cl.N=C(N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H | CAS Common Chemistry |
| InChI Key | InChIKey=PJJJBBJSCAKJQF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178 °C | CAS Common Chemistry |
| Name | Guanidine hydrochloride | CAS Common Chemistry |
| Guanidinium chloride | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.89 Ų | RDKit |
| LogP | -0.73963 | RDKit |
| Molar Refractivity | 23.349500000000006 | RDKit |
