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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 Mass:
133.02 g/mol
Names and Synonyms:
Ethylenediamine, Dihydrochloride
1,2-Ethanediamine, hydrochloride (1:2)
Ethylenediamine, dihydrochloride
1,2-Ethanediamine, dihydrochloride
Chlor-ethamine
Ethylenediamine hydrochloride
Dimethylenediamine dihydrochloride
1,2-Diaminoethane dihydrochloride
Ethylenediammonium dichloride
Ethylenediamine hydrochloride (1:2)
Identifiers:
SMILES:
Cl.Cl.NCCN
InChI:
InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H
Key Properties
Melting Point
>250 °C
CAS Common Chemistry
Density
1.46 g/cm³
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 | 133.02 g/mol | CAS Common Chemistry |
| 133.02200000000002 g/mol | RDKit | |
| 132.02210368 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.46 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.NCCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=OHHBFEVZJLBKEH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >250 °C | CAS Common Chemistry |
| Name | Ethylenediamine, dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | -0.25260000000000005 | RDKit |
| Molar Refractivity | 32.6048 | RDKit |
