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1,1-Dimethylethylenediamine
CAS: 108-00-9 | C4H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-00-9
Molecular Formula:
C4H12N2
Molecular Weight:
88.15400000000001 g/mol
Names and Synonyms:
1,1-Dimethylethylenediamine
Common Name
2-Amino-N,N-dimethyl-1-ethanamine
Synonym
N,N-Dimethylethan-1,2-diamine
Synonym
N′,N′-Dimethyl-1,2-diaminoethane
Synonym
N1,N1-Dimethylethan-1,2-diamine
Synonym
N,N-Dimethylaminoethylamine
Synonym
Dimethylaminoethylamine
Synonym
N1,N1-Dimethylethane-1,2-diamine
Synonym
2-Dimethylamino-1-ethylamine
Synonym
2-Dimethylamino-1-ethanamine
Synonym
N-(2-Dimethylaminoethyl)amine
Synonym
2-(N,N-Dimethylamino)ethanamine
Synonym
N,N-Methyl-1,2-ethanediamine
Synonym
NSC 24506
Synonym
(2-Aminoethyl)dimethylamine
Synonym
2-(Dimethylamino)ethanamine
Synonym
unsym-Dimethylethylenediamine
Synonym
N,N-Dimethylethanediamine
Synonym
N,N-Dimethyl-1,2-ethylenediamine
Synonym
2-(N,N-Dimethylamino)ethylamine
Synonym
N,N-Dimethyl-1,2-diaminoethane
Synonym
β-(Dimethylamino)ethylamine
Synonym
N,N-Dimethyl-1,2-ethanediamine
Synonym
N-(2-Aminoethyl)-N,N-dimethylamine
Synonym
2-(Dimethylamino)ethylamine
Synonym
N,N-Dimethylethylenediamine
Synonym
1-Amino-2-(dimethylamino)ethane
Synonym
N1,N1-Dimethyl-1,2-ethanediamine
Synonym
1,2-Ethanediamine, N,N-dimethyl-
Synonym
Ethylenediamine, N,N-dimethyl-
Synonym
1,2-Ethanediamine, N1,N1-dimethyl-
Synonym
Identifiers:
SMILES:
CN(C)CCN
InChI:
InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 88.15 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1,1-Dimethylethylenediamine None | Legacy Database |
| cas-boiling-point | 107 °C None | Legacy Database |
| cas-canonical-smile | NCCN(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DILRJUIACXKSQE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 180 °C @ Solvent: Acetonitrile None | Legacy Database |
| cas-name | N,N-Dimethylethylenediamine None | Legacy Database |
| wikipedia-name | 1,1-Dimethylethylenediamine None | Legacy Database |
| LogP | -0.4932999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.15400000000001 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 | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.608399999999993 | RDKit |