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Molecule
N-Ethylethylenediamine
CAS: 110-72-5 · C4H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-72-5
- Molecular Formula
- C4H12N2
- Molecular Mass
- 88.15 g/mol
Identifiers
CAS Registry Number
110-72-5
SMILES
CCNCCN
InChI Key
SCZVXVGZMZRGRU-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3
Names and Synonyms
- N-Ethylethylenediamine Synonym
- 1,2-Ethanediamine, N1-ethyl- Synonym
- Ethylenediamine, N-ethyl- Synonym
- 1,2-Ethanediamine, N-ethyl- Synonym
- N1-Ethyl-1,2-ethanediamine Synonym
- N-Ethylethylenediamine Synonym
- N-Ethyl-1,2-ethanediamine Synonym
- 2-(Ethylamino)ethylamine Synonym
- N-Ethyl-1,2-diaminoethane Synonym
- N-(2-Aminoethyl)ethylamine Synonym
- 1-Ethylethylenediamine Synonym
- 2-(Ethylamino)ethanamine Synonym
- (2-Aminoethyl)(ethyl)amine 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 | |
| Boiling Point | 129 °C | CAS Common Chemistry |
| Canonical SMILES | NCCNCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCZVXVGZMZRGRU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethylethylenediamine | 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 | 38.05 Ų | RDKit |
| LogP | -0.4454000000000002 | RDKit |
| -0.4454 | RDKit | |
| Molar Refractivity | 27.598099999999995 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 |
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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.
