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1,2-Dimethylethylenediamine
CAS: 110-70-3 | C4H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-70-3
Molecular Formula:
C4H12N2
Molecular Weight:
88.15399999999998 g/mol
Names and Synonyms:
1,2-Dimethylethylenediamine
Synonym
N1,N2-Dimethyl-1,2-ethanediamine
Synonym
2,5-Diazahexane
Synonym
N,N′-Dimethyldiaminoethane
Synonym
N,N′-Dimethylethylenediamine
Synonym
N,N′-Dimethylethanediamine
Synonym
N,N′-Dimethyl-1,2-ethanediamine
Synonym
sym-Dimethylethylenediamine
Synonym
1,2-Bis(methylamino)ethane
Synonym
N,N′-Dimethyl-1,2-diaminoethane
Synonym
Symmetrical dimethylethylenediamine
Synonym
N,N′-Dimethyl-1,2-ethylenediamine
Synonym
N-Methyl-N-[2-(methylamino)ethyl]amine
Synonym
(Methyl)[2-(methylamino)ethyl]amine
Synonym
DMEDA
Synonym
N1,N2-Dimethylethane-1,2-diamine
Synonym
N,N′-Dimethylethane-1,2-diamine
Synonym
1,2-Ethanediamine, N1,N2-dimethyl-
Synonym
Ethylenediamine, N,N′-dimethyl-
Synonym
1,2-Ethanediamine, N,N′-dimethyl-
Synonym
Identifiers:
SMILES:
CNCCNC
InChI:
InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
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 | 88.15399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.10004838399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 24.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.5748 | RDKit |
| molecular_mass | 88.15 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1,2-Dimethylethylenediamine None | Legacy Database |
| cas-boiling-point | 120 °C None | Legacy Database |
| cas-canonical-smile | N(C)CCNC None | Legacy Database |
| cas-inchi | InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KVKFRMCSXWQSNT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 125 °C None | Legacy Database |
| cas-name | N,N′-Dimethylethylenediamine None | Legacy Database |
| wikipedia-name | 1,2-Dimethylethylenediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.85339999999999 | RDKit |