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Molecule
4-(2,3-Epoxypropoxy)Carbazole
CAS: 51997-51-4 · C15H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51997-51-4
- Molecular Formula
- C15H13NO2
- Molecular Mass
- 239.27 g/mol
Identifiers
CAS Registry Number
51997-51-4
SMILES
c1ccc2c(c1)[nH]c1cccc(OCC3CO3)c12
InChI Key
SVWKIGRDISDRLO-UHFFFAOYSA-N
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
Names and Synonyms
- 4-(2,3-Epoxypropoxy)Carbazole Systematic Name
- 9H-Carbazole, 4-(2-oxiranylmethoxy)- Synonym
- 9H-Carbazole, 4-(oxiranylmethoxy)- Synonym
- 4-(2-Oxiranylmethoxy)-9H-carbazole Synonym
- 4-(2,3-Epoxypropoxy)carbazole Synonym
- 4-Oxiranylmethoxy-9H-carbazole Synonym
- 4-(Glycidyloxy)carbazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 239.27 g/mol | CAS Common Chemistry |
| 239.27399999999994 g/mol | RDKit | |
| 239.274 g/mol | RDKit | |
| 240.282 g/mol | chempirical lib | |
| 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 |
| 3.0987 | RDKit | |
| Molar Refractivity | 71.03970000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 239.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 239.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H13NO2.
