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Bis(1,2,2,6,6-Pentamethyl-4-Piperidyl) 2-(3,5-Di-Tert-Butyl-4-Hydroxybenzyl)-2-N-Butylmalonate
CAS: 63843-89-0 | C42H72N2O5
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
63843-89-0
Molecular Formula:
C42H72N2O5
Molecular Mass:
685.05 g/mol
Names and Synonyms:
Bis(1,2,2,6,6-Pentamethyl-4-Piperidyl) 2-(3,5-Di-Tert-Butyl-4-Hydroxybenzyl)-2-N-Butylmalonate
Propanedioic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-2-butyl-, 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
Propanedioic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate
Bis(1,2,2,6,6-pentamethyl-4-piperidyl) butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate
Bis(1,2,2,6,6-pentamethyl-4-piperidyl) α-(3,5-di-tert-butyl-4-hydroxybenzyl)-α-butylmalonate
Tinuvin 144
Sanol LS 144
Bis(1,2,2,6,6-pentamethyl-4-piperidyl) 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-n-butylmalonate
Bis(1,2,2,6,6-pentamethyl-4-piperidyl) 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-butyl malonate
Tinuvin 114
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) (3,5-di-tert-butyl-4-hydroxybenzyl)butylmalonate
TN 144
Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) (3,5-di-tert-butyl-4-hydroxybenzyl)butylpropanedioate
Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) n-butyl-3,5-di-tert-butyl-4-hydroxybenzylmalonate
Tinuvin PA 144
Light Stabilizer 144
Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) 2-butyl-2-(4-hydroxy-3,5-di-tert-butylbenzyl)propanedioate
Antioxidant 114
Bis(1,2,2,6,6-pentamethyl-4-piperidyl) n-butyl-3,5-di-tert-butyl-4-hydroxybenzylmalonate
2-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-2-butylpropanedioic acid 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) [3,5-bis(1,1-dimethylethyl-4-hydroxyphenyl)methyl]butylpropandioate
Light stabilizer 114
Identifiers:
SMILES:
CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChI:
InChI=1S/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3
Key Properties
Melting Point
147-149 °C @ Solvent: Methanol, Tetrahydrofuran
CAS Common Chemistry
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 | 685.05 g/mol | CAS Common Chemistry |
| 685.047 g/mol | RDKit | |
| 684.544123404 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CC(N(C)C(C)(C)C1)(C)C)C(C(=O)OC2CC(N(C)C(C)(C)C2)(C)C)(CC=3C=C(C(O)=C(C3)C(C)(C)C)C(C)(C)C)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FLPKSBDJMLUTEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147-149 °C @ Solvent: Methanol, Tetrahydrofuran | CAS Common Chemistry |
| Name | Bis(1,2,2,6,6-pentamethyl-4-piperidyl) 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-n-butylmalonate | CAS Common Chemistry |
| Heavy Atom Count | 49 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 79.31 Ų | RDKit |
| LogP | 9.095500000000005 | RDKit |
| Molar Refractivity | 201.23879999999917 | RDKit |
