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N,N,N′-Trimethylethylenediamine
CAS: 142-25-6 | C5H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-25-6
Molecular Formula:
C5H14N2
Molecular Weight:
102.18099999999998 g/mol
Names and Synonyms:
N,N,N′-Trimethylethylenediamine
N,N,N′-Trimethylethan-1,2-diamine
N′,N,N-Trimethylethylenediamine
N1,N1,N2-Trimethylethane-1,2-diamine
N,N′,N′-Trimethylethane-1,2-diamine
N-[2-(Dimethylamino)ethyl]methylamine
N-Methyl-N′,N′-dimethylethylenediamine
Methyl(2-(dimethylamino)ethyl)amine
N-[2-(Dimethylamino)ethyl]-N-methylamine
1-(N,N-Dimethylamino)-2-(N-methylamino)ethane
[2-(Dimethylamino)ethyl]methylamine
1-(Dimethylamino)-2-(methylamino)ethane
N,N,N′-Trimethyl-1,2-ethylenediamine
N,N′,N′-Trimethylethylenediamine
N,N,N′-Trimethyl-1,2-diaminoethane
N,N,N′-Trimethylethanediamine
N,N,N′-Trimethyl-1,2-ethanediamine
2-(Dimethylamino)-N-methylethylamine
N,N,N′-Trimethylethylenediamine
N,N,N′-Trimethyldiaminoethane
N1,N1,N2-Trimethyl-1,2-ethanediamine
1,2-Ethanediamine, N,N,N′-trimethyl-
Ethylenediamine, N,N,N′-trimethyl-
1,2-Ethanediamine, N1,N1,N2-trimethyl-
Identifiers:
SMILES:
CNCCN(C)C
InChI:
InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
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 | 102.18099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.11569844799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 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 | -0.23259999999999992 | RDKit |
| molecular_mass | 102.18 g/mol | Legacy Database |
| cas-boiling-point | 117 °C None | Legacy Database |
| cas-canonical-smile | N(C)CCN(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HVOYZOQVDYHUPF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N,N,N′-Trimethylethylenediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.480699999999985 | RDKit |
