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Molecule
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
Identifiers
CAS Registry Number
63843-89-0
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 Key
FLPKSBDJMLUTEX-UHFFFAOYSA-N
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
Names and Synonyms
- Bis(1,2,2,6,6-Pentamethyl-4-Piperidyl) 2-(3,5-Di-Tert-Butyl-4-Hydroxybenzyl)-2-N-Butylmalonate Systematic Name
- 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 Synonym
- Propanedioic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidyl) butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidyl) α-(3,5-di-tert-butyl-4-hydroxybenzyl)-α-butylmalonate Synonym
- Tinuvin 144 Synonym
- Sanol LS 144 Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidyl) 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-n-butylmalonate Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidyl) 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-butyl malonate Synonym
- Tinuvin 114 Synonym
- Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) (3,5-di-tert-butyl-4-hydroxybenzyl)butylmalonate Synonym
- TN 144 Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) (3,5-di-tert-butyl-4-hydroxybenzyl)butylpropanedioate Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate Synonym
- Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) n-butyl-3,5-di-tert-butyl-4-hydroxybenzylmalonate Synonym
- Tinuvin PA 144 Synonym
- Light Stabilizer 144 Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) 2-butyl-2-(4-hydroxy-3,5-di-tert-butylbenzyl)propanedioate Synonym
- Antioxidant 114 Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidyl) n-butyl-3,5-di-tert-butyl-4-hydroxybenzylmalonate Synonym
- 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 Synonym
- Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) [3,5-bis(1,1-dimethylethyl-4-hydroxyphenyl)methyl]butylpropandioate Synonym
- Light stabilizer 114 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 685.05 g/mol | CAS Common Chemistry |
| 685.047 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 |
| 78.85 Ų | chempirical lib | |
| LogP | 9.095500000000005 | RDKit |
| 9.0955 | RDKit | |
| Molar Refractivity | 201.23879999999917 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8095 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 684.544123404 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 = 685.05 g/mol. Edit any field — others recompute live.
