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Ethylenediamine
CAS: 107-15-3 | C2H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-15-3
Molecular Formula:
C2H8N2
Molecular Weight:
60.09999999999999 g/mol
Names and Synonyms:
Ethylenediamine
EDA
PB 05721
LR 500G
(2-Aminoethyl)amine
α,ω-Ethanediamine
Edamine
1,4-Diazabutane
β-Aminoethylamine
1,2-Ethylenediamine
Dimethylenediamine
1,2-Diaminoethane
Ethylenediamine
1,2-Ethanediamine
Identifiers:
SMILES:
NCCN
InChI:
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 60.09999999999999 g/mol | RDKit |
| Exact | Exact Molecular Weight | 60.06874825599999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 52.04 Ų | RDKit |
| Physical Properties | LogP | -1.0962 | RDKit |
| molecular_mass | 60.10 g/mol | Legacy Database | |
| density | 0.90 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethylenediamine | Legacy Database | |
| cas-boiling-point | 116-117 °C | Legacy Database | |
| cas-canonical-smile | NCCN | Legacy Database | |
| cas-density | 0.898 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 | Legacy Database | |
| cas-inchi-key | InChIKey=PIICEJLVQHRZGT-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 8.5 °C | Legacy Database | |
| cas-name | Ethylenediamine | Legacy Database | |
| wikipedia-name | Ethylenediamine | Legacy Database | |
| Molar | Molar Refractivity | 18.108800000000006 | RDKit |
