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4-(2,3-Epoxypropoxy)Carbazole
CAS: 51997-51-4 | C15H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51997-51-4
Molecular Formula:
C15H13NO2
Molecular Mass:
239.27 g/mol
Names and Synonyms:
4-(2,3-Epoxypropoxy)Carbazole
9H-Carbazole, 4-(2-oxiranylmethoxy)-
9H-Carbazole, 4-(oxiranylmethoxy)-
4-(2-Oxiranylmethoxy)-9H-carbazole
4-(2,3-Epoxypropoxy)carbazole
4-Oxiranylmethoxy-9H-carbazole
4-(Glycidyloxy)carbazole
Identifiers:
SMILES:
c1ccc2c(c1)[nH]c1cccc(OCC3CO3)c12
InChI:
InChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2
Key Properties
Melting Point
121-126 °C @ Solvent: Isopropanol
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 | 239.27 g/mol | CAS Common Chemistry |
| 239.27399999999994 g/mol | RDKit | |
| 239.094628656 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=CC=2NC=3C=CC=CC3C12)CC4OC4 | CAS Common Chemistry |
| InChI | InChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SVWKIGRDISDRLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121-126 °C @ Solvent: Isopropanol | CAS Common Chemistry |
| Name | 4-(2,3-Epoxypropoxy)carbazole | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 37.55 Ų | RDKit |
| LogP | 3.098700000000001 | RDKit |
| Molar Refractivity | 71.03970000000004 | RDKit |
