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Molecule
N,N,N′-Trimethylethylenediamine
CAS: 142-25-6 · C5H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 142-25-6
- Molecular Formula
- C5H14N2
- Molecular Mass
- 102.18 g/mol
Identifiers
CAS Registry Number
142-25-6
SMILES
CNCCN(C)C
InChI Key
HVOYZOQVDYHUPF-UHFFFAOYSA-N
InChI
InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
Names and Synonyms
- N,N,N′-Trimethylethylenediamine Systematic Name
- 1,2-Ethanediamine, N1,N1,N2-trimethyl- Synonym
- Ethylenediamine, N,N,N′-trimethyl- Synonym
- 1,2-Ethanediamine, N,N,N′-trimethyl- Synonym
- N1,N1,N2-Trimethyl-1,2-ethanediamine Synonym
- N,N,N′-Trimethyldiaminoethane Synonym
- N,N,N′-Trimethylethylenediamine Synonym
- 2-(Dimethylamino)-N-methylethylamine Synonym
- N,N,N′-Trimethyl-1,2-ethanediamine Synonym
- N,N,N′-Trimethylethanediamine Synonym
- N,N,N′-Trimethyl-1,2-diaminoethane Synonym
- N,N′,N′-Trimethylethylenediamine Synonym
- N,N,N′-Trimethyl-1,2-ethylenediamine Synonym
- 1-(Dimethylamino)-2-(methylamino)ethane Synonym
- [2-(Dimethylamino)ethyl]methylamine Synonym
- 1-(N,N-Dimethylamino)-2-(N-methylamino)ethane Synonym
- N-[2-(Dimethylamino)ethyl]-N-methylamine Synonym
- Methyl(2-(dimethylamino)ethyl)amine Synonym
- N-Methyl-N′,N′-dimethylethylenediamine Synonym
- N-[2-(Dimethylamino)ethyl]methylamine Synonym
- N,N′,N′-Trimethylethane-1,2-diamine Synonym
- N1,N1,N2-Trimethylethane-1,2-diamine Synonym
- N′,N,N-Trimethylethylenediamine Synonym
- N,N,N′-Trimethylethan-1,2-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.18 g/mol | CAS Common Chemistry |
| 102.18099999999998 g/mol | RDKit | |
| 102.181 g/mol | RDKit | |
| Boiling Point | 117 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HVOYZOQVDYHUPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,N′-Trimethylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| 15.04 Ų | chempirical lib | |
| LogP | -0.23259999999999992 | RDKit |
| -0.2326 | RDKit | |
| Molar Refractivity | 32.480699999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 102.11569844799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 102.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H14N2.
