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Molecule
Ethylenediamine, Dihydrochloride
CAS: 333-18-6 · C2H10Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 333-18-6
- Molecular Formula
- C2H10Cl2N2
- Molecular Mass
- 133.02 g/mol
Identifiers
CAS Registry Number
333-18-6
SMILES
Cl.Cl.NCCN
InChI Key
OHHBFEVZJLBKEH-UHFFFAOYSA-N
InChI
InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H
Names and Synonyms
- Ethylenediamine, Dihydrochloride Systematic Name
- 1,2-Ethanediamine, hydrochloride (1:2) Synonym
- Ethylenediamine, dihydrochloride Synonym
- 1,2-Ethanediamine, dihydrochloride Synonym
- Chlor-ethamine Synonym
- Ethylenediamine hydrochloride Synonym
- Dimethylenediamine dihydrochloride Synonym
- 1,2-Diaminoethane dihydrochloride Synonym
- Ethylenediammonium dichloride Synonym
- Ethylenediamine hydrochloride (1:2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.02 g/mol | CAS Common Chemistry |
| 133.02200000000002 g/mol | RDKit | |
| 133.022 g/mol | RDKit | |
| 133.016 g/mol | chempirical lib | |
| 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 |
| -0.2526 | RDKit | |
| Molar Refractivity | 32.6048 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 132.02210368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 133.02 g/mol; density = 1.460 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H10Cl2N2.
