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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
Loading 3D structure...
Basic Information
CAS Registry Number:
104810-48-2
Molecular Formula:
C21H25N3O4
Molecular Mass:
383.45 g/mol
Names and Synonyms:
Α-[3-[3-(2H-Benzotriazol-2-Yl)-5-(1,1-Dimethylethyl)-4-Hydroxyphenyl]-1-Oxopropyl]-Ω-Hydroxypoly(Oxy-1,2-Ethanediyl)
Poly(oxy-1,2-ethanediyl), α-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-hydroxy-
TV 1130
Tinuvin 1130
α-[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-hydroxypoly(oxy-1,2-ethanediyl)
Antioxidant 1130
EV 80
EV 80 (antioxidant)
Eversorb 80
Light Stabilizer 1130
BASF 1130
KH 1130
UV 1300
Identifiers:
SMILES:
CC(C)(C)c1cc(CCC(=O)OCCO)cc(-n2nc3ccccc3n2)c1O
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
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 | 383.45 g/mol | CAS Common Chemistry |
| 383.44800000000004 g/mol | RDKit | |
| 383.18450628000005 g/mol | RDKit | |
| 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 |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 97.47 Ų | RDKit |
| LogP | 2.8917000000000015 | RDKit |
| Molar Refractivity | 105.59560000000005 | RDKit |
