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Ethanimidamide, Hydrochloride (1:1)
CAS: 124-42-5 | C2H7ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-42-5
Molecular Formula:
C2H7ClN2
Molecular Mass:
94.55 g/mol
Names and Synonyms:
Ethanimidamide, Hydrochloride (1:1)
Ethanimidamide, hydrochloride (1:1)
Acetamidine, monohydrochloride
Ethanimidamide, monohydrochloride
Acetamidine, hydrochloride
Acediamine hydrochloride
α-Amino-α-iminoethane hydrochloride
Ethanamidine hydrochloride
SN 4455
Acetamidinium chloride
Acetimidinium chloride
Ethanimidamide, hydrochloride
Methylamidine hydrochloride
Acetamidine hydrochloride
Acetimidamide hydrochloride
Identifiers:
SMILES:
CC(=N)N.Cl
InChI:
InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
Key Properties
Melting Point
177.5 °C
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 | 94.55 g/mol | CAS Common Chemistry |
| 94.545 g/mol | RDKit | |
| 94.02977590399999 g/mol | RDKit | |
| Canonical SMILES | Cl.N=C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H | CAS Common Chemistry |
| InChI Key | InChIKey=WCQOBLXWLRDEQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 177.5 °C | CAS Common Chemistry |
| Name | Ethanimidamide, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.870000000000005 Ų | RDKit |
| LogP | 0.36407000000000017 | RDKit |
| Molar Refractivity | 24.8361 | RDKit |
