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Molecule
Ethanimidamide, 2-Chloro-, Monohydrochloride
CAS: 10300-69-3 · C2H6Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10300-69-3
- Molecular Formula
- C2H6Cl2N2
- Molecular Mass
- 128.99 g/mol
Identifiers
CAS Registry Number
10300-69-3
SMILES
Cl.N=C(N)CCl
InChI Key
GUPOZVHRTJYZCX-UHFFFAOYSA-N
InChI
InChI=1S/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H
Names and Synonyms
- Ethanimidamide, 2-Chloro-, Monohydrochloride Synonym
- Ethanimidamide, 2-chloro-, monohydrochloride Synonym
- Acetamidine, 2-chloro-, monohydrochloride Synonym
- Acetamidine, 2-chloro-, hydrochloride Synonym
- 2-Chloroacetamidine hydrochloride Synonym
- Chloroacetamidine hydrochloride Synonym
- α-Chloroacetamidine hydrochloride Synonym
- 2-Chloroacetamidine monohydrochloride Synonym
- 2-Chloroethanimidamide hydrochloride Synonym
- 2-Chloroacetimidamide hydrochloride Synonym
- 2-Chloro-1-iminoethan-1-aminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.99 g/mol | CAS Common Chemistry |
| 128.984 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ClCC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H | CAS Common Chemistry |
| InChI Key | InChIKey=GUPOZVHRTJYZCX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104-106 °C | CAS Common Chemistry |
| Name | Ethanimidamide, 2-chloro-, monohydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.870000000000005 Ų | RDKit |
| 49.87 Ų | RDKit | |
| LogP | 0.5829700000000001 | RDKit |
| 0.583 | RDKit | |
| Molar Refractivity | 29.8821 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 127.99080355199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 128.99 g/mol. Edit any field — others recompute live.
