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Molecule
Carbazole-9-Ethanol
CAS: 1484-14-6 · C14H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1484-14-6
- Molecular Formula
- C14H13NO
- Molecular Mass
- 211.26 g/mol
Identifiers
CAS Registry Number
1484-14-6
SMILES
OCCn1c2ccccc2c2ccccc21
InChI Key
IIKVAWLYHHZRGV-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO/c16-10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16H,9-10H2
Names and Synonyms
- Carbazole-9-Ethanol Synonym
- 9H-Carbazole-9-ethanol Synonym
- Carbazole-9-ethanol Synonym
- N-(2-Hydroxyethyl)carbazole Synonym
- N-(Hydroxyethyl)carbazole Synonym
- N-(β-Hydroxyethyl)carbazole Synonym
- 9-(2-Hydroxyethyl)carbazole Synonym
- 2-(9-Carbazolyl)ethanol Synonym
- 2-(N-Carbazolyl)ethanol Synonym
- NSC 21081 Synonym
- 9-(2-Hydroxyethyl)-9H-carbazole Synonym
- 2-(9H-Carbazol-9-yl)ethanol Synonym
- 2-(9H-Carbazol-9-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.26 g/mol | CAS Common Chemistry |
| 211.26399999999998 g/mol | RDKit | |
| 211.264 g/mol | RDKit | |
| 212.272 g/mol | chempirical lib | |
| Canonical SMILES | OCCN1C=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C14H13NO/c16-10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16H,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IIKVAWLYHHZRGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 79.5-80.5 °C | CAS Common Chemistry |
| Name | Carbazole-9-ethanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| 1 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 25.16 Ų | RDKit |
| LogP | 2.7868000000000004 | RDKit |
| 2.7868 | RDKit | |
| Molar Refractivity | 66.52980000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| Exact Mass | 211.099714036 g/mol | RDKit |
| Boiling Point | 220 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 211.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H13NO.
