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Molecule
Diethyl Azodicarboxylate
CAS: 1972-28-7 · C6H10N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1972-28-7
- Molecular Formula
- C6H10N2O4
- Molecular Mass
- 174.16 g/mol
Identifiers
CAS Registry Number
1972-28-7
SMILES
CCOC(=O)N=NC(=O)OCC
InChI Key
FAMRKDQNMBBFBR-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3
Names and Synonyms
- Diethyl Azodicarboxylate Common Name
- 1,2-Diazenedicarboxylic acid, 1,2-diethyl ester Synonym
- Formic acid, azodi-, diethyl ester Synonym
- Diazenedicarboxylic acid, diethyl ester Synonym
- Diethyl azodicarboxylate Synonym
- Diethyl azodiformate Synonym
- Diethyl diazodicarboxylate Synonym
- Diethoxycarbonyldiazene Synonym
- 1,2-Ethoxycarbonyl diazene Synonym
- Diethyl diazenedicarboxylate Synonym
- Azodicarboxylic acid diethyl ester Synonym
- DEAD Synonym
- Unifoam AZ-AE 200 Synonym
- NSC 3474 Synonym
- NSC 679015 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.16 g/mol | CAS Common Chemistry |
| 174.15599999999998 g/mol | RDKit | |
| 174.156 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethyl_azodicarboxylate | CAS Common Chemistry |
| Canonical SMILES | O=C(N=NC(=O)OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FAMRKDQNMBBFBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-122 °C | CAS Common Chemistry |
| Name | Diethyl azodicarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.32000000000001 Ų | RDKit |
| 77.32 Ų | RDKit | |
| LogP | 1.7515999999999998 | RDKit |
| 1.7516 | RDKit | |
| Molar Refractivity | 38.90000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 174.0640568 g/mol | RDKit |
| Boiling Point | 90-95 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
External Resources
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MW = 174.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10N2O4.
