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Molecule
1,1′-Dimethyl 2,2′-(1,2-Diazenediyl)Bis[2-Methylpropanoate]
CAS: 2589-57-3 · C10H18N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2589-57-3
- Molecular Formula
- C10H18N2O4
- Molecular Mass
- 230.26 g/mol
Identifiers
CAS Registry Number
2589-57-3
SMILES
COC(=O)C(C)(C)N=NC(C)(C)C(=O)OC
InChI Key
ZQMHJBXHRFJKOT-UHFFFAOYSA-N
InChI
InChI=1S/C10H18N2O4/c1-9(2,7(13)15-5)11-12-10(3,4)8(14)16-6/h1-6H3
Names and Synonyms
- 1,1′-Dimethyl 2,2′-(1,2-Diazenediyl)Bis[2-Methylpropanoate] Synonym
- Propanoic acid, 2,2′-(1,2-diazenediyl)bis[2-methyl-, 1,1′-dimethyl ester Synonym
- Propionic acid, 2,2′-azobis[2-methyl-, dimethyl ester Synonym
- Propanoic acid, 2,2′-azobis[2-methyl-, dimethyl ester Synonym
- 1,1′-Dimethyl 2,2′-(1,2-diazenediyl)bis[2-methylpropanoate] Synonym
- Dimethyl 2,2′-azobis(isobutyrate) Synonym
- Dimethyl azobis(isobutyrate) Synonym
- 2,2′-Azobis(methyl isobutyrate) Synonym
- Dimethyl azodiisobutyrate Synonym
- Dimethyl 2,2′-azobis(2-methylpropanoate) Synonym
- Dimethyl 2,2′-azodiisobutyrate Synonym
- Dimethyl α,α′-azo(bisisobutyrate) Synonym
- V 601 Synonym
- Wako 601 Synonym
- Dimethyl 2,2′-azobis(2-methylpropionate) Synonym
- MAIB Synonym
- AIBMe Synonym
- V 601HP Synonym
- Azobis(isobutyric acid) dimethyl ester Synonym
- Di-Me 2,2′-azobis(2-methylpropionate) Synonym
- 2,2′-Azobis(2-methylpropionic acid) dimethyl ester Synonym
- V 602 Synonym
- Dimethyl azobis(2-methylpropionate) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.26 g/mol | CAS Common Chemistry |
| 230.26399999999998 g/mol | RDKit | |
| 230.264 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C(N=NC(C(=O)OC)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18N2O4/c1-9(2,7(13)15-5)11-12-10(3,4)8(14)16-6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQMHJBXHRFJKOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29-31 °C | CAS Common Chemistry |
| Name | 1,1′-Dimethyl 2,2′-(1,2-diazenediyl)bis[2-methylpropanoate] | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.32000000000001 Ų | RDKit |
| 77.32 Ų | RDKit | |
| LogP | 1.3417999999999997 | RDKit |
| 1.3418 | RDKit | |
| 1.43 | chempirical lib | |
| Molar Refractivity | 57.04600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 230.126657056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
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.
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MW = 230.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18N2O4.
