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Molecule
Α-[3-[3-(2H-Benzotriazol-2-Yl)-5-(1,1-Dimethylethyl)-4-Hydroxyphenyl]-1-Oxopropyl]-Ω-Hydroxypoly(Oxy-1,2-Ethanediyl)
CAS: 104810-48-2 · C21H25N3O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 104810-48-2
- Molecular Formula
- C21H25N3O4
- Molecular Mass
- 383.45 g/mol
Identifiers
CAS Registry Number
104810-48-2
SMILES
CC(C)(C)c1cc(CCC(=O)OCCO)cc(-n2nc3ccccc3n2)c1O
InChI Key
XCTSUFSXBWQDBE-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N3O4/c1-21(2,3)15-12-14(8-9-19(26)28-11-10-25)13-18(20(15)27)24-22-16-6-4-5-7-17(16)23-24/h4-7,12-13,25,27H,8-11H2,1-3H3
Names and Synonyms
- Α-[3-[3-(2H-Benzotriazol-2-Yl)-5-(1,1-Dimethylethyl)-4-Hydroxyphenyl]-1-Oxopropyl]-Ω-Hydroxypoly(Oxy-1,2-Ethanediyl) Systematic Name
- Poly(oxy-1,2-ethanediyl), α-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-hydroxy- Synonym
- TV 1130 Synonym
- Tinuvin 1130 Synonym
- α-[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-hydroxypoly(oxy-1,2-ethanediyl) Synonym
- Antioxidant 1130 Synonym
- EV 80 Synonym
- EV 80 (antioxidant) Synonym
- Eversorb 80 Synonym
- Light Stabilizer 1130 Synonym
- BASF 1130 Synonym
- KH 1130 Synonym
- UV 1300 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 383.45 g/mol | CAS Common Chemistry |
| 383.44800000000004 g/mol | RDKit | |
| 383.448 g/mol | RDKit | |
| 384.456 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCCO)CCC=1C=C(C(O)=C(C1)C(C)(C)C)N2N=C3C=CC=CC3=N2 | CAS Common Chemistry |
| InChI | InChI=1S/C21H25N3O4/c1-21(2,3)15-12-14(8-9-19(26)28-11-10-25)13-18(20(15)27)24-22-16-6-4-5-7-17(16)23-24/h4-7,12-13,25,27H,8-11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCTSUFSXBWQDBE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | α-[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-hydroxypoly(oxy-1,2-ethanediyl) | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| 6 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 97.47 Ų | RDKit |
| 103.15 Ų | chempirical lib | |
| LogP | 2.8917000000000015 | RDKit |
| 2.8917 | RDKit | |
| 2.9 | chempirical lib | |
| Molar Refractivity | 105.59560000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.381 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 383.18450628000005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 383.45 g/mol. Edit any field — others recompute live.
