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2,2′-Azobis[2-Methyl-N-(2-Hydroxyethyl)Propionamide]
CAS: 61551-69-7 | C12H24N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61551-69-7
Molecular Formula:
C12H24N4O4
Molecular Mass:
288.35 g/mol
Names and Synonyms:
2,2′-Azobis[2-Methyl-N-(2-Hydroxyethyl)Propionamide]
Propanamide, 2,2′-(1,2-diazenediyl)bis[N-(2-hydroxyethyl)-2-methyl-
Propanamide, 2,2′-azobis[N-(2-hydroxyethyl)-2-methyl-
2,2′-(1,2-Diazenediyl)bis[N-(2-hydroxyethyl)-2-methylpropanamide]
VA 086
2,2′-Azobis[N-(2-hydroxyethyl)-2-methylpropionamide]
2,2′-Azobis[2-methyl-N-(2-hydroxyethyl)propionamide]
NSC 668415
V 086
AMHP
Identifiers:
SMILES:
CC(C)(N=NC(C)(C)C(O)=NCCO)C(O)=NCCO
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)
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 | 288.35 g/mol | CAS Common Chemistry |
| 288.348 g/mol | RDKit | |
| 288.179755248 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 |
| Molar Refractivity | 77.04720000000002 | RDKit |
