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N,N-Diethyl-N′-Methylethylenediamine
CAS: 104-79-0 | C7H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
104-79-0
Molecular Formula:
C7H18N2
Molecular Weight:
130.23499999999999 g/mol
Names and Synonyms:
N,N-Diethyl-N′-Methylethylenediamine
Diethyl(2-methylaminoethyl)amine
N-[2-(Diethylamino)ethyl]-N-methylamine
NSC 27480
Methyl(2-(diethylamino)ethyl)amine
N,N-Diethyl-N′-methyl-1,2-ethanediamine
[2-(Diethylamino)ethyl]methylamine
2-(Diethylamino)-N-methylethylamine
N,N-Diethyl-N′-methylethylenediamine
N1,N1-Diethyl-N2-methyl-1,2-ethanediamine
1,2-Ethanediamine, N,N-diethyl-N′-methyl-
Ethylenediamine, N,N-diethyl-N′-methyl-
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
Identifiers:
SMILES:
CCN(CC)CCNC
InChI:
InChI=1S/C7H18N2/c1-4-9(5-2)7-6-8-3/h8H,4-7H2,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.23499999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.146998576 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 15.27 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5475999999999999 | RDKit |
| molecular_mass | 130.24 g/mol | Legacy Database |
| cas-boiling-point | 155-160 °C None | Legacy Database |
| cas-canonical-smile | N(C)CCN(CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C7H18N2/c1-4-9(5-2)7-6-8-3/h8H,4-7H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MKDYQLJYEBWUIG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N,N-Diethyl-N′-methylethylenediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.71470000000001 | RDKit |
