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N,N-Diethylethylenediamine
CAS: 100-36-7 | C6H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100-36-7
Molecular Formula:
C6H16N2
Molecular Mass:
116.21 g/mol
Names and Synonyms:
N,N-Diethylethylenediamine
1,2-Ethanediamine, N1,N1-diethyl-
Ethylenediamine, N,N-diethyl-
1,2-Ethanediamine, N,N-diethyl-
N1,N1-Diethyl-1,2-ethanediamine
N-(2-Diethylaminoethyl)amine
β-(Diethylamino)ethylamine
N,N-Diethylethylenediamine
2-(Diethylamino)ethylamine
N-(2-Aminoethyl)-N,N-diethylamine
N,N-Diethyl-1,2-ethanediamine
1-Amino-2-(diethylamino)ethane
N,N-Diethyl-1,2-diaminoethane
N,N-Diethyl-1,2-ethylenediamine
2-(Diethylamino)ethanamine
NSC 19675
1-Amino-2-(N,N-diethylamino)ethane
N-[2-(N,N-Diethylamino)ethyl]amine
2-Diethylamino-1-ethylamine
Diethylamineethylamine
N′,N′-Diethyl-1,2-diaminoethane
2-Diethylamino-1-ethaneamine
Identifiers:
SMILES:
CCN(CC)CCN
InChI:
InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3
Key Properties
Boiling Point
144 °C
CAS Common Chemistry
Melting Point
184-186 °C (decomp) @ Solvent: Ligroine, Dichloromethane
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 |
| 116.20800000000001 g/mol | RDKit | |
| 116.13134851199999 g/mol | RDKit | |
| Boiling Point | 144 °C | CAS Common Chemistry |
| Canonical SMILES | NCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UDGSVBYJWHOHNN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184-186 °C (decomp) @ Solvent: Ligroine, Dichloromethane | CAS Common Chemistry |
| Name | N,N-Diethylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 0.28690000000000004 | RDKit |
| Molar Refractivity | 36.842399999999984 | RDKit |
