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Diethyl Azodicarboxylate
CAS: 1972-28-7 | C6H10N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1972-28-7
Molecular Formula:
C6H10N2O4
Molecular Mass:
174.16 g/mol
Names and Synonyms:
Diethyl Azodicarboxylate
1,2-Diazenedicarboxylic acid, 1,2-diethyl ester
Formic acid, azodi-, diethyl ester
Diazenedicarboxylic acid, diethyl ester
Diethyl azodicarboxylate
Diethyl azodiformate
Diethyl diazodicarboxylate
Diethoxycarbonyldiazene
1,2-Ethoxycarbonyl diazene
Diethyl diazenedicarboxylate
Azodicarboxylic acid diethyl ester
DEAD
Unifoam AZ-AE 200
NSC 3474
NSC 679015
Identifiers:
SMILES:
CCOC(=O)N=NC(=O)OCC
InChI:
InChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3
Key Properties
Boiling Point
90-95 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
118-122 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.16 g/mol | CAS Common Chemistry |
| 174.15599999999998 g/mol | RDKit | |
| 174.0640568 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethyl_azodicarboxylate | CAS Common Chemistry |
| Boiling Point | 90-95 °C @ Press: 5 Torr | 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 |
| LogP | 1.7515999999999998 | RDKit |
| Molar Refractivity | 38.90000000000001 | RDKit |
