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1-Oxyl-2,2,6,6-Tetramethylpiperidin-4-Yl Sebacate
CAS: 2516-92-9 | C28H50N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2516-92-9
Molecular Formula:
C28H50N2O6
Molecular Mass:
510.72 g/mol
Names and Synonyms:
1-Oxyl-2,2,6,6-Tetramethylpiperidin-4-Yl Sebacate
1-Piperidinyloxy, 4,4′-[(1,10-dioxo-1,10-decanediyl)bis(oxy)]bis[2,2,6,6-tetramethyl-
Piperidinooxy, 4-hydroxy-2,2,6,6-tetramethyl-, sebacate (2:1) (ester)
Piperidinooxy, 4-hydroxy-2,2,6,6-tetramethyl-, sebacate
Sebacic acid, diester with 4-hydroxy-2,2,6,6-tetramethylpiperidinooxy
4,4′-[(1,10-Dioxo-1,10-decanediyl)bis(oxy)]bis[2,2,6,6-tetramethyl-1-piperidinyloxy]
Bis(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl) sebacate
Ciba 5415
Bis(2,2,6,6-tetramethylpiperidin-1-oxyl-4-yl) decanedioate
Prostab 5415
CXA 5415
Bis(2,2,6,6-tetramethylpiperidin-1-oxyl-4-yl) sebacate
MP 1002
Irgastab UV 10
Bis(2,2,6,6-tetramethylpiperidinoxy) sebacate
EC 3314A
1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl sebacate
B 5642
Identifiers:
SMILES:
CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)[N+](=O)C(C)(C)C2)CC(C)(C)N1[O-]
InChI:
InChI=1S/C28H50N2O6/c1-25(2)17-21(18-26(3,4)29(25)33)35-23(31)15-13-11-9-10-12-14-16-24(32)36-22-19-27(5,6)30(34)28(7,8)20-22/h21-22H,9-20H2,1-8H3
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 | 510.72 g/mol | CAS Common Chemistry |
| 510.7160000000003 g/mol | RDKit | |
| 510.36688732 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CC(N([O])C(C)(C)C1)(C)C)CCCCCCCCC(=O)OC2CC(N([O])C(C)(C)C2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C28H50N2O6/c1-25(2)17-21(18-26(3,4)29(25)33)35-23(31)15-13-11-9-10-12-14-16-24(32)36-22-19-27(5,6)30(34)28(7,8)20-22/h21-22H,9-20H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XVJWWMHPPKXKRU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl sebacate | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 98.98 Ų | RDKit |
| LogP | 6.211500000000007 | RDKit |
| Molar Refractivity | 140.31339999999994 | RDKit |
