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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 Mass:
88.15 g/mol
Names and Synonyms:
1,2-Dimethylethylenediamine
N1,N2-Dimethyl-1,2-ethanediamine
2,5-Diazahexane
N,N′-Dimethyldiaminoethane
N,N′-Dimethylethylenediamine
N,N′-Dimethylethanediamine
N,N′-Dimethyl-1,2-ethanediamine
sym-Dimethylethylenediamine
1,2-Bis(methylamino)ethane
N,N′-Dimethyl-1,2-diaminoethane
Symmetrical dimethylethylenediamine
N,N′-Dimethyl-1,2-ethylenediamine
N-Methyl-N-[2-(methylamino)ethyl]amine
(Methyl)[2-(methylamino)ethyl]amine
DMEDA
N1,N2-Dimethylethane-1,2-diamine
N,N′-Dimethylethane-1,2-diamine
1,2-Ethanediamine, N1,N2-dimethyl-
Ethylenediamine, N,N′-dimethyl-
1,2-Ethanediamine, N,N′-dimethyl-
Identifiers:
SMILES:
CNCCNC
InChI:
InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
Key Properties
Boiling Point
120 °C
CAS Common Chemistry
Melting Point
125 °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 | 88.15 g/mol | CAS Common Chemistry |
| 88.15399999999998 g/mol | RDKit | |
| 88.10004838399999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Dimethylethylenediamine | CAS Common Chemistry |
| Boiling Point | 120 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)CCNC | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KVKFRMCSXWQSNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125 °C | CAS Common Chemistry |
| Name | N,N′-Dimethylethylenediamine | CAS Common Chemistry |
| 1,2-Dimethylethylenediamine | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | -0.5748 | RDKit |
| Molar Refractivity | 27.85339999999999 | RDKit |
