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N′-(4-Ethoxycarbonylphenyl)-N-Methyl-N-Phenylformamidine
CAS: 57834-33-0 | C17H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57834-33-0
Molecular Formula:
C17H18N2O2
Molecular Mass:
282.34 g/mol
Names and Synonyms:
N′-(4-Ethoxycarbonylphenyl)-N-Methyl-N-Phenylformamidine
Benzoic acid, 4-[[(methylphenylamino)methylene]amino]-, ethyl ester
N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine
UV 1
UV 1 (Chinese UV absorber)
Zikasorb R
Chisorb 971
Identifiers:
SMILES:
CCOC(=O)c1ccc(N=CN(C)c2ccccc2)cc1
InChI:
InChI=1S/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3
Key Properties
Boiling Point
188 °C @ Press: 0.1 Torr
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 | 282.34 g/mol | CAS Common Chemistry |
| 282.343 g/mol | RDKit | |
| 282.136827816 g/mol | RDKit | |
| Boiling Point | 188 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C1=CC=C(N=CN(C=2C=CC=CC2)C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GNGYPJUKIKDJQT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 41.9 Ų | RDKit |
| LogP | 3.659500000000002 | RDKit |
| Molar Refractivity | 85.39550000000006 | RDKit |
