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Molecule
1,2-Dimethylethylenediamine
CAS: 110-70-3 · C4H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-70-3
- Molecular Formula
- C4H12N2
- Molecular Mass
- 88.15 g/mol
Identifiers
CAS Registry Number
110-70-3
SMILES
CNCCNC
InChI Key
KVKFRMCSXWQSNT-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
Names and Synonyms
- 1,2-Dimethylethylenediamine Synonym
- N1,N2-Dimethyl-1,2-ethanediamine Synonym
- 2,5-Diazahexane Synonym
- N,N′-Dimethyldiaminoethane Synonym
- N,N′-Dimethylethylenediamine Synonym
- N,N′-Dimethylethanediamine Synonym
- N,N′-Dimethyl-1,2-ethanediamine Synonym
- sym-Dimethylethylenediamine Synonym
- 1,2-Bis(methylamino)ethane Synonym
- N,N′-Dimethyl-1,2-diaminoethane Synonym
- Symmetrical dimethylethylenediamine Synonym
- N,N′-Dimethyl-1,2-ethylenediamine Synonym
- N-Methyl-N-[2-(methylamino)ethyl]amine Synonym
- (Methyl)[2-(methylamino)ethyl]amine Synonym
- DMEDA Synonym
- N1,N2-Dimethylethane-1,2-diamine Synonym
- N,N′-Dimethylethane-1,2-diamine Synonym
- 1,2-Ethanediamine, N1,N2-dimethyl- Synonym
- Ethylenediamine, N,N′-dimethyl- Synonym
- 1,2-Ethanediamine, N,N′-dimethyl- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.15 g/mol | CAS Common Chemistry |
| 88.15399999999998 g/mol | RDKit | |
| 88.154 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 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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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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.
