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Molecule
Diisopropyl Azodicarboxylate
CAS: 2446-83-5 · C8H14N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2446-83-5
- Molecular Formula
- C8H14N2O4
- Molecular Mass
- 202.21 g/mol
Identifiers
CAS Registry Number
2446-83-5
SMILES
CC(C)OC(=O)N=NC(=O)OC(C)C
InChI Key
VVWRJUBEIPHGQF-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3
Names and Synonyms
- Diisopropyl Azodicarboxylate Synonym
- 1,2-Diazenedicarboxylic acid, 1,2-bis(1-methylethyl) ester Synonym
- Formic acid, azodi-, diisopropyl ester Synonym
- Diazenedicarboxylic acid, bis(1-methylethyl) ester Synonym
- Diisopropyl azodiformate Synonym
- Diisopropyl azodicarboxylate Synonym
- Diisopropyl diazodicarboxylate Synonym
- DIAD Synonym
- Azodicarboxylic acid diisopropyl ester Synonym
- Diisopropyl diazene-1,2-dicarboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.21 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diisopropyl_azodicarboxylate | 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 |
| 77.32 Ų | RDKit | |
| LogP | 2.528600000000001 | RDKit |
| 2.5286 | RDKit | |
| Molar Refractivity | 48.090000000000025 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 202.095356928 g/mol | RDKit |
| Boiling Point | 75.5 °C @ 0.25 Torr | CAS Common Chemistry |
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 |
|---|
200 ppm
180
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20
0 ppm
| 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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Quick conversion
MW = 202.21 g/mol. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
