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6,11-Dihydro-5H-Dibenz[B,E]Azepine-6-Methanamine
CAS: 41218-84-2 | C15H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41218-84-2
Molecular Formula:
C15H16N2
Molecular Mass:
224.31 g/mol
Names and Synonyms:
6,11-Dihydro-5H-Dibenz[B,E]Azepine-6-Methanamine
5H-Dibenz[b,e]azepine-6-methanamine, 6,11-dihydro-
6,11-Dihydro-5H-dibenz[b,e]azepine-6-methanamine
6-Aminomethyl-5,6-dihydromorphanthridine
Identifiers:
SMILES:
NCC1Nc2ccccc2Cc2ccccc21
InChI:
InChI=1S/C15H16N2/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8,15,17H,9-10,16H2
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 | 224.31 g/mol | CAS Common Chemistry |
| 224.30699999999996 g/mol | RDKit | |
| 224.131348512 g/mol | RDKit | |
| Canonical SMILES | NCC1NC=2C=CC=CC2CC=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16N2/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8,15,17H,9-10,16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FPKDBVUHIXYLNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6,11-Dihydro-5H-dibenz[b,e]azepine-6-methanamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 2.702700000000001 | RDKit |
| Molar Refractivity | 71.10810000000004 | RDKit |
