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Ethylenediamine, Dihydrochloride
CAS: 333-18-6 | C2H10Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
333-18-6
Molecular Formula:
C2H10Cl2N2
Molecular Weight:
133.02200000000002 g/mol
Names and Synonyms:
Ethylenediamine, Dihydrochloride
Ethylenediamine hydrochloride (1:2)
Ethylenediammonium dichloride
1,2-Diaminoethane dihydrochloride
Dimethylenediamine dihydrochloride
Ethylenediamine hydrochloride
Chlor-ethamine
1,2-Ethanediamine, dihydrochloride
Ethylenediamine, dihydrochloride
1,2-Ethanediamine, hydrochloride (1:2)
Identifiers:
SMILES:
Cl.Cl.NCCN
InChI:
InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*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 | 133.02 g/mol | Legacy Database |
| density | 1.46 g/cm³ | Legacy Database |
| cas-canonical-smile | Cl.NCCN None | Legacy Database |
| cas-density | 1.46 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H None | Legacy Database |
| cas-inchi-key | InChIKey=OHHBFEVZJLBKEH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >250 °C None | Legacy Database |
| cas-name | Ethylenediamine, dihydrochloride None | Legacy Database |
| LogP | -0.25260000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.02200000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.02210368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 52.04 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.6048 | RDKit |
