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Molecule
9-Ethyl-3-Carbazolecarboxaldehyde
CAS: 7570-45-8 · C15H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7570-45-8
- Molecular Formula
- C15H13NO
- Molecular Mass
- 223.27 g/mol
Identifiers
CAS Registry Number
7570-45-8
SMILES
CCn1c2ccccc2c2cc(C=O)ccc21
InChI Key
QGJXVBICNCIWEL-UHFFFAOYSA-N
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
Names and Synonyms
- 9-Ethyl-3-Carbazolecarboxaldehyde Systematic Name
- 9H-Carbazole-3-carboxaldehyde, 9-ethyl- Synonym
- Carbazole-3-carboxaldehyde, 9-ethyl- Synonym
- 9-Ethyl-9H-carbazole-3-carboxaldehyde Synonym
- N-Ethylcarbazole-3-carboxaldehyde Synonym
- N-Ethyl-3-formylcarbazole Synonym
- 3-Formyl-N-ethylcarbazole Synonym
- 9-Ethyl-3-carbazolecarboxaldehyde Synonym
- 3-Formyl-9-ethylcarbazole Synonym
- N-Ethylcarbazol-3-aldehyde Synonym
- 9-Ethyl-3-formylcarbazole Synonym
- NSC 231558 Synonym
- N-Ethyl-9H-carbazole-3-aldehyde Synonym
- 9-Ethyl-3-formyl-9H-carbazole Synonym
- N-Ethylcarbazole-3-aldehyde Synonym
- 9-Ethyl-9H-carbazole-3-aldehyde Synonym
- 9-Ethylcarbazole-3-carbaldehyde Synonym
- 9-Ethyl-9H-carbazole-3-carbaldehyde Synonym
- 10-Ethyl-10H-carbazole-3-carbaldehyede Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.27 g/mol | CAS Common Chemistry |
| 223.27499999999998 g/mol | RDKit | |
| 223.275 g/mol | RDKit | |
| 224.283 g/mol | chempirical lib | |
| 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 |
| 1 | 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 |
| 3.6269 | RDKit | |
| Molar Refractivity | 70.50550000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| Exact Mass | 223.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 223.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H13NO.
