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9-Ethyl-3-Carbazolecarboxaldehyde
CAS: 7570-45-8 | C15H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7570-45-8
Molecular Formula:
C15H13NO
Molecular Mass:
223.27 g/mol
Names and Synonyms:
9-Ethyl-3-Carbazolecarboxaldehyde
9H-Carbazole-3-carboxaldehyde, 9-ethyl-
Carbazole-3-carboxaldehyde, 9-ethyl-
9-Ethyl-9H-carbazole-3-carboxaldehyde
N-Ethylcarbazole-3-carboxaldehyde
N-Ethyl-3-formylcarbazole
3-Formyl-N-ethylcarbazole
9-Ethyl-3-carbazolecarboxaldehyde
3-Formyl-9-ethylcarbazole
N-Ethylcarbazol-3-aldehyde
9-Ethyl-3-formylcarbazole
NSC 231558
N-Ethyl-9H-carbazole-3-aldehyde
9-Ethyl-3-formyl-9H-carbazole
N-Ethylcarbazole-3-aldehyde
9-Ethyl-9H-carbazole-3-aldehyde
9-Ethylcarbazole-3-carbaldehyde
9-Ethyl-9H-carbazole-3-carbaldehyde
10-Ethyl-10H-carbazole-3-carbaldehyede
Identifiers:
SMILES:
CCn1c2ccccc2c2cc(C=O)ccc21
InChI:
InChI=1S/C15H13NO/c1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16/h3-10H,2H2,1H3
Key Properties
Melting Point
88 °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 | 223.27 g/mol | CAS Common Chemistry |
| 223.27499999999998 g/mol | RDKit | |
| 223.099714036 g/mol | RDKit | |
| Canonical SMILES | O=CC1=CC=C2C(=C1)C=3C=CC=CC3N2CC | CAS Common Chemistry |
| InChI | InChI=1S/C15H13NO/c1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16/h3-10H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QGJXVBICNCIWEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88 °C | CAS Common Chemistry |
| Name | 9-Ethyl-3-carbazolecarboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 22.0 Ų | RDKit |
| LogP | 3.6269000000000027 | RDKit |
| Molar Refractivity | 70.50550000000003 | RDKit |
