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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 Mass:
88.15 g/mol
Names and Synonyms:
1,1-Dimethylethylenediamine
1,2-Ethanediamine, N1,N1-dimethyl-
Ethylenediamine, N,N-dimethyl-
1,2-Ethanediamine, N,N-dimethyl-
N1,N1-Dimethyl-1,2-ethanediamine
1-Amino-2-(dimethylamino)ethane
N,N-Dimethylethylenediamine
2-(Dimethylamino)ethylamine
N-(2-Aminoethyl)-N,N-dimethylamine
N,N-Dimethyl-1,2-ethanediamine
β-(Dimethylamino)ethylamine
N,N-Dimethyl-1,2-diaminoethane
2-(N,N-Dimethylamino)ethylamine
N,N-Dimethyl-1,2-ethylenediamine
N,N-Dimethylethanediamine
unsym-Dimethylethylenediamine
2-(Dimethylamino)ethanamine
(2-Aminoethyl)dimethylamine
NSC 24506
N,N-Methyl-1,2-ethanediamine
2-(N,N-Dimethylamino)ethanamine
N-(2-Dimethylaminoethyl)amine
2-Dimethylamino-1-ethanamine
2-Dimethylamino-1-ethylamine
N1,N1-Dimethylethane-1,2-diamine
Dimethylaminoethylamine
N,N-Dimethylaminoethylamine
N1,N1-Dimethylethan-1,2-diamine
N′,N′-Dimethyl-1,2-diaminoethane
N,N-Dimethylethan-1,2-diamine
2-Amino-N,N-dimethyl-1-ethanamine
Identifiers:
SMILES:
CN(C)CCN
InChI:
InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3
Key Properties
Boiling Point
107 °C
CAS Common Chemistry
Melting Point
180 °C @ Solvent: Acetonitrile
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 |
| 88.15400000000001 g/mol | RDKit | |
| 88.10004838399999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1-Dimethylethylenediamine | CAS Common Chemistry |
| Boiling Point | 107 °C | CAS Common Chemistry |
| Canonical SMILES | NCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DILRJUIACXKSQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 180 °C @ Solvent: Acetonitrile | CAS Common Chemistry |
| Name | N,N-Dimethylethylenediamine | CAS Common Chemistry |
| 1,1-Dimethylethylenediamine | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | -0.4932999999999998 | RDKit |
| Molar Refractivity | 27.608399999999993 | RDKit |
