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Ethanimidamide, 2-Chloro-, Monohydrochloride
CAS: 10300-69-3 | C2H6Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10300-69-3
Molecular Formula:
C2H6Cl2N2
Molecular Weight:
128.99 g/mol
Names and Synonyms:
Ethanimidamide, 2-Chloro-, Monohydrochloride
Ethanimidamide, 2-chloro-, monohydrochloride
Acetamidine, 2-chloro-, monohydrochloride
Acetamidine, 2-chloro-, hydrochloride
2-Chloroacetamidine hydrochloride
Chloroacetamidine hydrochloride
α-Chloroacetamidine hydrochloride
2-Chloroacetamidine monohydrochloride
2-Chloroethanimidamide hydrochloride
2-Chloroacetimidamide hydrochloride
2-Chloro-1-iminoethan-1-aminium chloride
Identifiers:
SMILES:
Cl.N=C(N)CCl
InChI:
InChI=1S/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);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 |
|---|
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 | 128.99 g/mol | Legacy Database |
| cas-canonical-smile | Cl.ClCC(=N)N None | Legacy Database |
| cas-inchi | InChI=1S/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H None | Legacy Database |
| cas-inchi-key | InChIKey=GUPOZVHRTJYZCX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 104-106 °C None | Legacy Database |
| cas-name | Ethanimidamide, 2-chloro-, monohydrochloride None | Legacy Database |
| LogP | 0.5829700000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.99 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 127.99080355199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 29.8821 | RDKit |
