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Ethanamine, N-Methyl-, Hydrochloride (1:1)
CAS: 624-60-2 | C3H10ClN
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
624-60-2
Molecular Formula:
C3H10ClN
Molecular Weight:
95.573 g/mol
Names and Synonyms:
Ethanamine, N-Methyl-, Hydrochloride (1:1)
Synonym
Ethanamine, N-methyl-, hydrochloride (1:1)
Synonym
Ethylamine, N-methyl-, hydrochloride
Synonym
Ethanamine, N-methyl-, hydrochloride
Synonym
N-Methylethylamine hydrochloride
Synonym
Methylethylammonium chloride
Synonym
Ethylmethylamine hydrochloride
Synonym
N-Methylethanamine hydrochloride
Synonym
Identifiers:
SMILES:
CCNC.Cl
InChI:
InChI=1S/C3H9N.ClH/c1-3-4-2;/h4H,3H2,1-2H3;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 95.573 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.05017699999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 12.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6475 | RDKit |
| molecular_mass | 95.57 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N(C)CC None | Legacy Database |
| cas-inchi | InChI=1S/C3H9N.ClH/c1-3-4-2;/h4H,3H2,1-2H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=GEHLEADVHVVTET-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 128 °C None | Legacy Database |
| cas-name | Ethanamine, N-methyl-, hydrochloride (1:1) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.84869999999999 | RDKit |