Back to Search
Molecule
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
Identifiers
CAS Registry Number
41218-84-2
SMILES
NCC1Nc2ccccc2Cc2ccccc21
InChI Key
FPKDBVUHIXYLNP-UHFFFAOYSA-N
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
Names and Synonyms
- 6,11-Dihydro-5H-Dibenz[B,E]Azepine-6-Methanamine Systematic Name
- 5H-Dibenz[b,e]azepine-6-methanamine, 6,11-dihydro- Synonym
- 6,11-Dihydro-5H-dibenz[b,e]azepine-6-methanamine Synonym
- 6-Aminomethyl-5,6-dihydromorphanthridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.31 g/mol | CAS Common Chemistry |
| 224.30699999999996 g/mol | RDKit | |
| 224.307 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 |
| 2.7027 | RDKit | |
| 2.5 | chempirical lib | |
| Molar Refractivity | 71.10810000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 224.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 224.31 g/mol. Edit any field — others recompute live.
