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Diisopropyl Azodicarboxylate
CAS: 2446-83-5 | C8H14N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2446-83-5
Molecular Formula:
C8H14N2O4
Molecular Mass:
202.21 g/mol
Names and Synonyms:
Diisopropyl Azodicarboxylate
1,2-Diazenedicarboxylic acid, 1,2-bis(1-methylethyl) ester
Formic acid, azodi-, diisopropyl ester
Diazenedicarboxylic acid, bis(1-methylethyl) ester
Diisopropyl azodiformate
Diisopropyl azodicarboxylate
Diisopropyl diazodicarboxylate
DIAD
Azodicarboxylic acid diisopropyl ester
Diisopropyl diazene-1,2-dicarboxylate
Identifiers:
SMILES:
CC(C)OC(=O)N=NC(=O)OC(C)C
InChI:
InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3
Key Properties
Boiling Point
75.5 °C @ Press: 0.25 Torr
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 | 202.21 g/mol | CAS Common Chemistry |
| 202.095356928 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diisopropyl_azodicarboxylate | CAS Common Chemistry |
| Boiling Point | 75.5 °C @ Press: 0.25 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N=NC(=O)OC(C)C)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VVWRJUBEIPHGQF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diisopropyl azodicarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.528600000000001 | RDKit |
| Molar Refractivity | 48.090000000000025 | RDKit |
