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Molecule
2,2′-Azobis[2-Methyl-N-(2-Hydroxyethyl)Propionamide]
CAS: 61551-69-7 · C12H24N4O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 61551-69-7
- Molecular Formula
- C12H24N4O4
- Molecular Mass
- 288.35 g/mol
Identifiers
CAS Registry Number
61551-69-7
SMILES
CC(C)(N=NC(C)(C)C(O)=NCCO)C(O)=NCCO
InChI Key
WVFLGSMUPMVNTQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H24N4O4/c1-11(2,9(19)13-5-7-17)15-16-12(3,4)10(20)14-6-8-18/h17-18H,5-8H2,1-4H3,(H,13,19)(H,14,20)
Names and Synonyms
- 2,2′-Azobis[2-Methyl-N-(2-Hydroxyethyl)Propionamide] Systematic Name
- Propanamide, 2,2′-(1,2-diazenediyl)bis[N-(2-hydroxyethyl)-2-methyl- Synonym
- Propanamide, 2,2′-azobis[N-(2-hydroxyethyl)-2-methyl- Synonym
- 2,2′-(1,2-Diazenediyl)bis[N-(2-hydroxyethyl)-2-methylpropanamide] Synonym
- VA 086 Synonym
- 2,2′-Azobis[N-(2-hydroxyethyl)-2-methylpropionamide] Synonym
- 2,2′-Azobis[2-methyl-N-(2-hydroxyethyl)propionamide] Synonym
- NSC 668415 Synonym
- V 086 Synonym
- AMHP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.35 g/mol | CAS Common Chemistry |
| 288.348 g/mol | RDKit | |
| Canonical SMILES | O=C(NCCO)C(N=NC(C(=O)NCCO)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H24N4O4/c1-11(2,9(19)13-5-7-17)15-16-12(3,4)10(20)14-6-8-18/h17-18H,5-8H2,1-4H3,(H,13,19)(H,14,20) | CAS Common Chemistry |
| InChI Key | InChIKey=WVFLGSMUPMVNTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2′-Azobis[2-methyl-N-(2-hydroxyethyl)propionamide] | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 130.36 Ų | RDKit |
| LogP | 0.8934000000000002 | RDKit |
| 0.8934 | RDKit | |
| Molar Refractivity | 77.04720000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 288.179755248 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 288.35 g/mol. Edit any field — others recompute live.
