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Molecule
Benzophenone Imine
CAS: 1013-88-3 · C13H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1013-88-3
- Molecular Formula
- C13H11N
- Molecular Mass
- 181.24 g/mol
Identifiers
CAS Registry Number
1013-88-3
SMILES
N=C(c1ccccc1)c1ccccc1
InChI Key
SXZIXHOMFPUIRK-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
Names and Synonyms
- Benzophenone Imine Synonym
- Benzenemethanimine, α-phenyl- Synonym
- Methylenimine, 1,1-diphenyl- Synonym
- α-Phenylbenzenemethanimine Synonym
- Benzhydrylidenimine Synonym
- Diphenylketimine Synonym
- Diphenylmethanimine Synonym
- Benzophenone imine Synonym
- 1,1-Diphenylmethylenimine Synonym
- Benzhydrylimine Synonym
- Benzophenonimine Synonym
- Iminodiphenylmethane Synonym
- 1,1-Diphenylmethanimine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.24 g/mol | CAS Common Chemistry |
| 181.238 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0939 g/cm3 @ 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 |
| 3.1028 | RDKit | |
| Molar Refractivity | 58.81470000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 181.089149352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 181.24 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11N.
