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Molecule
N-(4-Methoxybenzylidene)Aniline
CAS: 836-41-9 · C14H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 836-41-9
- Molecular Formula
- C14H13NO
- Molecular Mass
- 211.26 g/mol
Identifiers
CAS Registry Number
836-41-9
SMILES
COc1ccc(C=Nc2ccccc2)cc1
InChI Key
MSWPGMRTURVKRJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3
Names and Synonyms
- N-(4-Methoxybenzylidene)Aniline Synonym
- NSC 155535 Synonym
- Benzenamine, N-[(4-methoxyphenyl)methylene]- Synonym
- Aniline, N-(p-methoxybenzylidene)- Synonym
- N-[(4-Methoxyphenyl)methylene]benzenamine Synonym
- (p-Methoxybenzylidene)aniline Synonym
- N-(p-Methoxybenzylidene)aniline Synonym
- p-Methoxybenzaldehyde anil Synonym
- p-Methoxybenzalaniline Synonym
- (4-Methoxybenzylidene)aniline Synonym
- N-(4-Methoxybenzylidene)aniline Synonym
- (4-Methoxyphenylmethylene)(phenyl)amine Synonym
- (4-Methoxybenzylidene)phenylamine Synonym
- N-[(4-Methoxyphenyl)methylene]phenylamine Synonym
- N-Phenyl-4-methoxybenzylideneimine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.26 g/mol | CAS Common Chemistry |
| 211.26400000000004 g/mol | RDKit | |
| 211.264 g/mol | RDKit | |
| Canonical SMILES | N(=CC1=CC=C(OC)C=C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H13NO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MSWPGMRTURVKRJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63 °C | CAS Common Chemistry |
| Name | N-(4-Methoxybenzylidene)aniline | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 21.59 Ų | RDKit |
| LogP | 3.445800000000002 | RDKit |
| 3.4458 | RDKit | |
| Molar Refractivity | 66.69000000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 211.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 211.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H13NO.
