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Molecule
N1,N2-Diethylethanediamide
CAS: 615-84-9 · C6H12N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 615-84-9
- Molecular Formula
- C6H12N2O2
- Molecular Mass
- 144.17 g/mol
Identifiers
CAS Registry Number
615-84-9
SMILES
CCNC(=O)C(=O)NCC
InChI Key
FFYAVOJIYAAUNX-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
Names and Synonyms
- N1,N2-Diethylethanediamide Systematic Name
- Ethanediamide, N1,N2-diethyl- Synonym
- Oxamide, N,N′-diethyl- Synonym
- Ethanediamide, N,N′-diethyl- Synonym
- N1,N2-Diethylethanediamide Synonym
- N,N′-Diethyloxamide Synonym
- N,N′-Diethyloxalamide Synonym
- NSC 243629 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.17 g/mol | CAS Common Chemistry |
| 144.17399999999998 g/mol | RDKit | |
| 144.174 g/mol | RDKit | |
| Canonical SMILES | O=C(NCC)C(=O)NCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10) | CAS Common Chemistry |
| InChI Key | InChIKey=FFYAVOJIYAAUNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | N1,N2-Diethylethanediamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.2 Ų | RDKit |
| LogP | -0.7413999999999994 | RDKit |
| -0.7414 | RDKit | |
| Molar Refractivity | 37.3674 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 144.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 144.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12N2O2.
