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Octocrylene
CAS: 6197-30-4 | C24H27NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6197-30-4
Molecular Formula:
C24H27NO2
Molecular Mass:
361.49 g/mol
Names and Synonyms:
Octocrylene
2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester
Acrylic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester
Agent AT 539
Uvinul N 539
2-Ethylhexyl 2-cyano-3,3-diphenylacrylate
2-Ethylhexyl α-cyano-β-phenylcinnamate
Octocrylene
2-Ethylhexyl 2-cyano-3,3-diphenyl-2-propenoate
Octocrilene
2′-Ethylhexyl 2-cyano-3-phenylcinnamate
Viosorb 930
2-Ethylhexyl α-cyano-β,β′-diphenylacrylate
Uvinul 3039
Eusolex OCR
Sanduvor 3039
Neo Heliopan 303
Uvinul N 539T
Uvinul N 539SG
2-Cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester
CA 1 (light stabilizer)
CA 1
Parsol 340
Seesorb 502
Escalol 597
2-Ethylhexyl-3,3-diphenylcyanoacrylate
N 539
UV 3039
Identifiers:
SMILES:
CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
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 | 361.49 g/mol | CAS Common Chemistry |
| 361.485 g/mol | RDKit | |
| 361.20417910400005 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octocrylene | CAS Common Chemistry |
| Canonical SMILES | N#CC(C(=O)OCC(CC)CCCC)=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FMJSMJQBSVNSBF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Octocrylene | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.09 Ų | RDKit |
| LogP | 5.771680000000005 | RDKit |
| Molar Refractivity | 108.78400000000003 | RDKit |
