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N,N′-Diethylethylenediamine
CAS: 111-74-0 | C6H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-74-0
Molecular Formula:
C6H16N2
Molecular Mass:
116.21 g/mol
Names and Synonyms:
N,N′-Diethylethylenediamine
1,2-Ethanediamine, N1,N2-diethyl-
Ethylenediamine, N,N′-diethyl-
1,2-Ethanediamine, N,N′-diethyl-
N1,N2-Diethyl-1,2-ethanediamine
N,N′-Diethyldiaminoethane
N,N′-Diethylethylenediamine
N,N′-Diethyl-1,2-ethanediamine
N,N′-Diethyl-1,2-diaminoethane
Identifiers:
SMILES:
CCNCCNCC
InChI:
InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
Key Properties
Boiling Point
146 °C
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 | 116.21 g/mol | CAS Common Chemistry |
| 116.208 g/mol | RDKit | |
| 116.13134851199999 g/mol | RDKit | |
| Boiling Point | 146 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)CCNCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CJKRXEBLWJVYJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N′-Diethylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 0.20540000000000008 | RDKit |
| Molar Refractivity | 37.0874 | RDKit |
