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Molecule
N-Methylcarbazole
CAS: 1484-12-4 · C13H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1484-12-4
- Molecular Formula
- C13H11N
- Molecular Mass
- 181.24 g/mol
Identifiers
CAS Registry Number
1484-12-4
SMILES
Cn1c2ccccc2c2ccccc21
InChI Key
SDFLTYHTFPTIGX-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3
Names and Synonyms
- N-Methylcarbazole Synonym
- Carbazole, 9-methyl- Synonym
- 9H-Carbazole, 9-methyl- Synonym
- 9-Methyl-9H-carbazole Synonym
- N-Methylcarbazole Synonym
- 9-Methylcarbazole Synonym
- NSC 121195 Synonym
- N-Methyl-9H-carbazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.24 g/mol | CAS Common Chemistry |
| 181.238 g/mol | RDKit | |
| 182.246 g/mol | chempirical lib | |
| Boiling Point | 196-198 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=3C=CC=CC3N2C | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SDFLTYHTFPTIGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89.34 °C | CAS Common Chemistry |
| Name | N-Methylcarbazole | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| 0 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 4.93 Ų | RDKit |
| LogP | 3.331500000000002 | RDKit |
| 3.3315 | RDKit | |
| Molar Refractivity | 60.425000000000026 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| Exact Mass | 181.089149352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 181.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11N.
