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Molecule
1,1-Dimethylethylenediamine
CAS: 108-00-9 · C4H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108-00-9
- Molecular Formula
- C4H12N2
- Molecular Mass
- 88.15 g/mol
Identifiers
CAS Registry Number
108-00-9
SMILES
CN(C)CCN
InChI Key
DILRJUIACXKSQE-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3
Names and Synonyms
- 1,1-Dimethylethylenediamine Systematic Name
- 1,2-Ethanediamine, N1,N1-dimethyl- Synonym
- Ethylenediamine, N,N-dimethyl- Synonym
- 1,2-Ethanediamine, N,N-dimethyl- Synonym
- N1,N1-Dimethyl-1,2-ethanediamine Synonym
- 1-Amino-2-(dimethylamino)ethane Synonym
- N,N-Dimethylethylenediamine Synonym
- 2-(Dimethylamino)ethylamine Synonym
- N-(2-Aminoethyl)-N,N-dimethylamine Synonym
- N,N-Dimethyl-1,2-ethanediamine Synonym
- β-(Dimethylamino)ethylamine Synonym
- N,N-Dimethyl-1,2-diaminoethane Synonym
- 2-(N,N-Dimethylamino)ethylamine Synonym
- N,N-Dimethyl-1,2-ethylenediamine Synonym
- N,N-Dimethylethanediamine Synonym
- unsym-Dimethylethylenediamine Synonym
- 2-(Dimethylamino)ethanamine Synonym
- (2-Aminoethyl)dimethylamine Synonym
- NSC 24506 Synonym
- N,N-Methyl-1,2-ethanediamine Synonym
- 2-(N,N-Dimethylamino)ethanamine Synonym
- N-(2-Dimethylaminoethyl)amine Synonym
- 2-Dimethylamino-1-ethanamine Synonym
- 2-Dimethylamino-1-ethylamine Synonym
- N1,N1-Dimethylethane-1,2-diamine Synonym
- Dimethylaminoethylamine Synonym
- N,N-Dimethylaminoethylamine Synonym
- N1,N1-Dimethylethan-1,2-diamine Synonym
- N′,N′-Dimethyl-1,2-diaminoethane Synonym
- N,N-Dimethylethan-1,2-diamine Synonym
- 2-Amino-N,N-dimethyl-1-ethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.15 g/mol | CAS Common Chemistry |
| 88.15400000000001 g/mol | RDKit | |
| 88.154 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 |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | -0.4932999999999998 | RDKit |
| -0.4933 | RDKit | |
| Molar Refractivity | 27.608399999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 88.10004838399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 88.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H12N2.
