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Methanimidamide, Hydrochloride (1:1)
CAS: 6313-33-3 | CH5ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6313-33-3
Molecular Formula:
CH5ClN2
Molecular Weight:
80.51800000000001 g/mol
Names and Synonyms:
Methanimidamide, Hydrochloride (1:1)
Common Name
Methanimidamide hydrochloride
Synonym
Formamidinium chloride
Synonym
Formamidine, hydrochloride
Synonym
Methanimidamide, monohydrochloride
Synonym
Formamidine, monohydrochloride
Synonym
Methanimidamide, hydrochloride (1:1)
Synonym
Identifiers:
SMILES:
Cl.N=CN
InChI:
InChI=1S/CH4N2.ClH/c2-1-3;/h1H,(H3,2,3);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 | 80.52 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N=CN None | Legacy Database |
| cas-inchi | InChI=1S/CH4N2.ClH/c2-1-3;/h1H,(H3,2,3);1H None | Legacy Database |
| cas-inchi-key | InChIKey=NMVVJCLUYUWBSZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 76-78 °C None | Legacy Database |
| cas-name | Methanimidamide, hydrochloride (1:1) None | Legacy Database |
| LogP | -0.026029999999999887 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 80.51800000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 80.01412583999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 49.870000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.219100000000005 | RDKit |