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Molecule
9-Ethylcarbazole
CAS: 86-28-2 · C14H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86-28-2
- Molecular Formula
- C14H13N
- Molecular Mass
- 195.26 g/mol
Identifiers
CAS Registry Number
86-28-2
SMILES
CCn1c2ccccc2c2ccccc21
InChI Key
PLAZXGNBGZYJSA-UHFFFAOYSA-N
InChI
InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3
Names and Synonyms
- 9-Ethylcarbazole Systematic Name
- 9H-Carbazole, 9-ethyl- Synonym
- Carbazole, 9-ethyl- Synonym
- 9-Ethyl-9H-carbazole Synonym
- N-Ethylcarbazole Synonym
- 9-Ethylcarbazole Synonym
- NSC 60585 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.26 g/mol | CAS Common Chemistry |
| 195.265 g/mol | RDKit | |
| 196.273 g/mol | chempirical lib | |
| Boiling Point | 190 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=3C=CC=CC3N2CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PLAZXGNBGZYJSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | 9-Ethylcarbazole | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| 0 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 4.93 Ų | RDKit |
| LogP | 3.8144000000000027 | RDKit |
| 3.8144 | RDKit | |
| Molar Refractivity | 65.11800000000004 cm³/mol | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Exact Mass | 195.104799416 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
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MW = 195.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H13N.
