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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 Mass:
60.10 g/mol
Names and Synonyms:
Ethylenediamine
1,2-Ethanediamine
Ethylenediamine
1,2-Diaminoethane
Dimethylenediamine
1,2-Ethylenediamine
β-Aminoethylamine
1,4-Diazabutane
Edamine
α,ω-Ethanediamine
(2-Aminoethyl)amine
LR 500G
PB 05721
EDA
Identifiers:
SMILES:
NCCN
InChI:
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
Key Properties
Boiling Point
116-117 °C
CAS Common Chemistry
Melting Point
8.5 °C
CAS Common Chemistry
Density
0.90 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 | 60.10 g/mol | CAS Common Chemistry |
| 60.09999999999999 g/mol | RDKit | |
| 60.06874825599999 g/mol | RDKit | |
| 60.1 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.898 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylenediamine | CAS Common Chemistry |
| Boiling Point | 116-117 °C | CAS Common Chemistry |
| Canonical SMILES | NCCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PIICEJLVQHRZGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8.5 °C | CAS Common Chemistry |
| Name | Ethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| 4 | chempirical lib | |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | -1.0962 | RDKit |
| 0.31 | chempirical lib | |
| Molar Refractivity | 18.108800000000006 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
Related Molecules
Other compounds with formula C2H8N2
