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Benzophenone Imine
CAS: 1013-88-3 | C13H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1013-88-3
Molecular Formula:
C13H11N
Molecular Mass:
181.24 g/mol
Names and Synonyms:
Benzophenone Imine
Benzenemethanimine, α-phenyl-
Methylenimine, 1,1-diphenyl-
α-Phenylbenzenemethanimine
Benzhydrylidenimine
Diphenylketimine
Diphenylmethanimine
Benzophenone imine
1,1-Diphenylmethylenimine
Benzhydrylimine
Benzophenonimine
Iminodiphenylmethane
1,1-Diphenylmethanimine
Identifiers:
SMILES:
N=C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
Key Properties
Boiling Point
282 °C
CAS Common Chemistry
Density
1.09 g/cm³
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 | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0939 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzophenone_imine | CAS Common Chemistry |
| Boiling Point | 282 °C | CAS Common Chemistry |
| Canonical SMILES | N=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H | CAS Common Chemistry |
| InChI Key | InChIKey=SXZIXHOMFPUIRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzophenone imine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.85 Ų | RDKit |
| LogP | 3.1027700000000014 | RDKit |
| Molar Refractivity | 58.81470000000003 | RDKit |
