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Molecule
Dibenzazepine
CAS: 256-96-2 · C14H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 256-96-2
- Molecular Formula
- C14H11N
- Molecular Mass
- 193.25 g/mol
Identifiers
CAS Registry Number
256-96-2
SMILES
C1=Cc2ccccc2Nc2ccccc21
InChI Key
LCGTWRLJTMHIQZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
Names and Synonyms
- Dibenzazepine Synonym
- 5H-Dibenz[b,f]azepine Synonym
- 5-Azadibenzo[a,e]cycloheptatriene Synonym
- 2,2′-Iminostilbene Synonym
- Stilbene, 2,2′-imino- Synonym
- Iminostilbene Synonym
- Dibenzazepine Synonym
- Dibenz[b,f]azepine Synonym
- 5H-Dibenzo[b,f]azepine Synonym
- RP 9989 Synonym
- NSC 123458 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.25 g/mol | CAS Common Chemistry |
| 193.249 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibenzazepine | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2NC=3C=CC=CC3C=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H | CAS Common Chemistry |
| InChI Key | InChIKey=LCGTWRLJTMHIQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198 °C | CAS Common Chemistry |
| Name | Dibenz[b,f]azepine | CAS Common Chemistry |
| Dibenzazepine | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.9140000000000024 | RDKit |
| 3.914 | RDKit | |
| Molar Refractivity | 65.09470000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 193.089149352 g/mol | RDKit |
| Boiling Point | 150-180 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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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MW = 193.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H11N.
