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Methyl 1,2,2,6,6-Pentamethyl-4-Piperidinyl Sebacate
CAS: 82919-37-7 | C21H39NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
82919-37-7
Molecular Formula:
C21H39NO4
Molecular Mass:
369.55 g/mol
Names and Synonyms:
Methyl 1,2,2,6,6-Pentamethyl-4-Piperidinyl Sebacate
Decanedioic acid, 1-methyl 10-(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
Decanedioic acid, methyl 1,2,2,6,6-pentamethyl-4-piperidinyl ester
Methyl 1,2,2,6,6-pentamethyl-4-piperidinyl sebacate
Methyl 1,2,2,6,6-pentamethyl-4-piperidiyl sebacate
Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate
BLS 292
Identifiers:
SMILES:
COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChI:
InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3
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 | 369.55 g/mol | CAS Common Chemistry |
| 369.5460000000001 g/mol | RDKit | |
| 369.28790872800005 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)CCCCCCCCC(=O)OC1CC(N(C)C(C)(C)C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OTCWVYFQGYOYJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl 1,2,2,6,6-pentamethyl-4-piperidinyl sebacate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.84000000000001 Ų | RDKit |
| LogP | 4.4748000000000046 | RDKit |
| Molar Refractivity | 103.98700000000008 | RDKit |
