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Molecule
Ethylenediamine Dihydroiodide
CAS: 5700-49-2 · C2H10I2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5700-49-2
- Molecular Formula
- C2H10I2N2
- Molecular Mass
- 315.92 g/mol
Identifiers
CAS Registry Number
5700-49-2
SMILES
I.I.NCCN
InChI Key
IWNWLPUNKAYUAW-UHFFFAOYSA-N
InChI
InChI=1S/C2H8N2.2HI/c3-1-2-4;;/h1-4H2;2*1H
Names and Synonyms
- Ethylenediamine Dihydroiodide Synonym
- 1,2-Ethanediamine, hydriodide (1:2) Synonym
- Ethylenediamine, dihydriodide Synonym
- 1,2-Ethanediamine, dihydriodide Synonym
- Hoffman Bonded E-D-D Iodine Compound Synonym
- Hydriodide-Boot Synonym
- Hy-Odide Synonym
- Iod-Ethamine Synonym
- Ethylenediamine dihydroiodide Synonym
- Hydrodine Synonym
- Hi-O-Dide Synonym
- EDDI Synonym
- Jodethamine Synonym
- 1,2-Diammoniumethane diiodide Synonym
- EDAI2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 315.92 g/mol | CAS Common Chemistry |
| 315.9240000000001 g/mol | RDKit | |
| 315.924 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylenediamine_dihydroiodide | CAS Common Chemistry |
| Canonical SMILES | I.NCCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H8N2.2HI/c3-1-2-4;;/h1-4H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=IWNWLPUNKAYUAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethylenediamine dihydroiodide | 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 | 0.13980000000000004 | RDKit |
| 0.1398 | RDKit | |
| Molar Refractivity | 48.93880000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 315.89334432000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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40
20
0 ppm
| 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.
External Resources
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MW = 315.92 g/mol. Edit any field — others recompute live.
