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Molecule
4′-Ethoxybenzylidene-4-Butylaniline
CAS: 29743-08-6 · C19H23NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 29743-08-6
- Molecular Formula
- C19H23NO
- Molecular Mass
- 281.40 g/mol
Identifiers
CAS Registry Number
29743-08-6
SMILES
CCCCc1ccc(N=Cc2ccc(OCC)cc2)cc1
InChI Key
DBOAVDSSZWDGTH-UHFFFAOYSA-N
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
Names and Synonyms
- 4′-Ethoxybenzylidene-4-Butylaniline Synonym
- Benzenamine, 4-butyl-N-[(4-ethoxyphenyl)methylene]- Synonym
- Aniline, p-butyl-N-(p-ethoxybenzylidene)- Synonym
- 4-Butyl-N-[(4-ethoxyphenyl)methylene]benzenamine Synonym
- N-(p-Ethoxybenzylidene)-p-butylaniline Synonym
- N-(p-Ethoxybenzylidene)-p-n-butylaniline Synonym
- N-(4-Ethoxybenzylidene)-4-butylaniline Synonym
- p-[(p-Ethoxybenzylidene)amino]butylbenzene Synonym
- 4-Butyl-N-(4-ethoxybenzylidene)aniline Synonym
- 4-Ethoxybenzylidene-4′-butylaniline Synonym
- Ethoxybenzylidene-p-butylaniline Synonym
- 4-Ethoxybenzylidene-4′-n-butylaniline Synonym
- 4′-Butyl-4-ethoxybenzylidene aniline Synonym
- 1-[(p-Ethoxybenzylidene)amino]-4-butylbenzene Synonym
- N-(p-Ethoxybenzilidene)-p-butylaniline Synonym
- p-Ethoxybenzal-p-butylaniline Synonym
- Ethoxybenzylidenebutylaniline Synonym
- N-(p-Ethoxybenzylidene)-p′-butylaniline Synonym
- p-Ethoxybenzylidene-p-n-butylaniline Synonym
- p-Butyl-N-(p-ethoxybenzylidene)aniline Synonym
- p-Ethoxybenzylidene-p′-N-butylaniline Synonym
- p-Ethoxybenzylidene-p-butylaniline Synonym
- p-Butyl-N-(p-ethoxybenzilidene)aniline Synonym
- N-(4-Ethoxybenzylidene)butylaniline Synonym
- 4′-Ethoxybenzylidene-4-butylaniline Synonym
- N-(4-Ethoxybenzylidene)-4′-butylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.40 g/mol | CAS Common Chemistry |
| 281.399 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 |
| 5.1785 | RDKit | |
| Molar Refractivity | 89.91900000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3158 | RDKit |
| 0.32 | chempirical lib | |
| Exact Mass | 281.177964356 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 281.40 g/mol. Edit any field — others recompute live.
