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4′-Ethoxybenzylidene-4-Butylaniline
CAS: 29743-08-6 | C19H23NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29743-08-6
Molecular Formula:
C19H23NO
Molecular Mass:
281.40 g/mol
Names and Synonyms:
4′-Ethoxybenzylidene-4-Butylaniline
Benzenamine, 4-butyl-N-[(4-ethoxyphenyl)methylene]-
Aniline, p-butyl-N-(p-ethoxybenzylidene)-
4-Butyl-N-[(4-ethoxyphenyl)methylene]benzenamine
N-(p-Ethoxybenzylidene)-p-butylaniline
N-(p-Ethoxybenzylidene)-p-n-butylaniline
N-(4-Ethoxybenzylidene)-4-butylaniline
p-[(p-Ethoxybenzylidene)amino]butylbenzene
4-Butyl-N-(4-ethoxybenzylidene)aniline
4-Ethoxybenzylidene-4′-butylaniline
Ethoxybenzylidene-p-butylaniline
4-Ethoxybenzylidene-4′-n-butylaniline
4′-Butyl-4-ethoxybenzylidene aniline
1-[(p-Ethoxybenzylidene)amino]-4-butylbenzene
N-(p-Ethoxybenzilidene)-p-butylaniline
p-Ethoxybenzal-p-butylaniline
Ethoxybenzylidenebutylaniline
N-(p-Ethoxybenzylidene)-p′-butylaniline
p-Ethoxybenzylidene-p-n-butylaniline
p-Butyl-N-(p-ethoxybenzylidene)aniline
p-Ethoxybenzylidene-p′-N-butylaniline
p-Ethoxybenzylidene-p-butylaniline
p-Butyl-N-(p-ethoxybenzilidene)aniline
N-(4-Ethoxybenzylidene)butylaniline
4′-Ethoxybenzylidene-4-butylaniline
N-(4-Ethoxybenzylidene)-4′-butylaniline
Identifiers:
SMILES:
CCCCc1ccc(N=Cc2ccc(OCC)cc2)cc1
InChI:
InChI=1S/C19H23NO/c1-3-5-6-16-7-11-18(12-8-16)20-15-17-9-13-19(14-10-17)21-4-2/h7-15H,3-6H2,1-2H3
Key Properties
Melting Point
34 °C
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 | 281.40 g/mol | CAS Common Chemistry |
| 281.399 g/mol | RDKit | |
| 281.177964356 g/mol | RDKit | |
| Canonical SMILES | N(=CC1=CC=C(OCC)C=C1)C2=CC=C(C=C2)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H23NO/c1-3-5-6-16-7-11-18(12-8-16)20-15-17-9-13-19(14-10-17)21-4-2/h7-15H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DBOAVDSSZWDGTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | 4′-Ethoxybenzylidene-4-butylaniline | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 21.59 Ų | RDKit |
| LogP | 5.178500000000005 | RDKit |
| Molar Refractivity | 89.91900000000007 | RDKit |
