Back to Search
N-Benzylideneaniline
CAS: 538-51-2 | C13H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
538-51-2
Molecular Formula:
C13H11N
Molecular Mass:
181.24 g/mol
Names and Synonyms:
N-Benzylideneaniline
Benzenamine, N-(phenylmethylene)-
Aniline, N-benzylidene-
N-(Phenylmethylene)benzenamine
Benzaldehyde anil
N-Benzylideneaniline
N-Benzalaniline
M4 (amine)
N-Phenylbenzenemethanimine
N-Phenylbenzylideneimine
M4
Benzaldehyde N-phenylimine
N-Phenylbenzaldimine
Phenyl(benzylidene)amine
Benzylideneaniline
(Benzylidene)phenylamine
N-(Phenylmethylidene)benzenamine
NSC 736
Diphenylimine
N-Benzylidenebenzenamine
N-Phenylbenzylimine
N-Benzylidenenaniline
Identifiers:
SMILES:
C(=Nc1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H
Key Properties
Boiling Point
310 °C
CAS Common Chemistry
Melting Point
54 °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 | 181.24 g/mol | CAS Common Chemistry |
| 181.238 g/mol | RDKit | |
| 181.089149352 g/mol | RDKit | |
| Boiling Point | 310 °C | CAS Common Chemistry |
| Canonical SMILES | N(=CC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H | CAS Common Chemistry |
| InChI Key | InChIKey=UVEWQKMPXAHFST-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 54 °C | CAS Common Chemistry |
| Name | N-Benzylideneaniline | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.36 Ų | RDKit |
| LogP | 3.4372000000000016 | RDKit |
| Molar Refractivity | 60.138000000000034 | RDKit |
