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Dibenzazepine
CAS: 256-96-2 | C14H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
256-96-2
Molecular Formula:
C14H11N
Molecular Mass:
193.25 g/mol
Names and Synonyms:
Dibenzazepine
5H-Dibenz[b,f]azepine
5-Azadibenzo[a,e]cycloheptatriene
2,2′-Iminostilbene
Stilbene, 2,2′-imino-
Iminostilbene
Dibenzazepine
Dibenz[b,f]azepine
5H-Dibenzo[b,f]azepine
RP 9989
NSC 123458
Identifiers:
SMILES:
C1=Cc2ccccc2Nc2ccccc21
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
Key Properties
Boiling Point
150-180 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
198 °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 | 193.25 g/mol | CAS Common Chemistry |
| 193.249 g/mol | RDKit | |
| 193.089149352 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibenzazepine | CAS Common Chemistry |
| Boiling Point | 150-180 °C @ Press: 0.1 Torr | 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 |
| Molar Refractivity | 65.09470000000002 | RDKit |
