Back to Search
N-(4-Methoxybenzylidene)Aniline
CAS: 836-41-9 | C14H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
836-41-9
Molecular Formula:
C14H13NO
Molecular Mass:
211.26 g/mol
Names and Synonyms:
N-(4-Methoxybenzylidene)Aniline
NSC 155535
Benzenamine, N-[(4-methoxyphenyl)methylene]-
Aniline, N-(p-methoxybenzylidene)-
N-[(4-Methoxyphenyl)methylene]benzenamine
(p-Methoxybenzylidene)aniline
N-(p-Methoxybenzylidene)aniline
p-Methoxybenzaldehyde anil
p-Methoxybenzalaniline
(4-Methoxybenzylidene)aniline
N-(4-Methoxybenzylidene)aniline
(4-Methoxyphenylmethylene)(phenyl)amine
(4-Methoxybenzylidene)phenylamine
N-[(4-Methoxyphenyl)methylene]phenylamine
N-Phenyl-4-methoxybenzylideneimine
Identifiers:
SMILES:
COc1ccc(C=Nc2ccccc2)cc1
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
Key Properties
Melting Point
63 °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 | 211.26 g/mol | CAS Common Chemistry |
| 211.26400000000004 g/mol | RDKit | |
| 211.099714036 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 |
| Molar Refractivity | 66.69000000000003 | RDKit |
