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Carbazole-9-Ethanol
CAS: 1484-14-6 | C14H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1484-14-6
Molecular Formula:
C14H13NO
Molecular Mass:
211.26 g/mol
Names and Synonyms:
Carbazole-9-Ethanol
9H-Carbazole-9-ethanol
Carbazole-9-ethanol
N-(2-Hydroxyethyl)carbazole
N-(Hydroxyethyl)carbazole
N-(β-Hydroxyethyl)carbazole
9-(2-Hydroxyethyl)carbazole
2-(9-Carbazolyl)ethanol
2-(N-Carbazolyl)ethanol
NSC 21081
9-(2-Hydroxyethyl)-9H-carbazole
2-(9H-Carbazol-9-yl)ethanol
2-(9H-Carbazol-9-yl)ethan-1-ol
Identifiers:
SMILES:
OCCn1c2ccccc2c2ccccc21
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
Key Properties
Boiling Point
220 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
79.5-80.5 °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 | 211.26 g/mol | CAS Common Chemistry |
| 211.26399999999998 g/mol | RDKit | |
| 211.099714036 g/mol | RDKit | |
| Boiling Point | 220 °C @ Press: 5 Torr | CAS Common Chemistry |
| 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 |
| 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 |
| Molar Refractivity | 66.52980000000004 | RDKit |
