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6-Methylquinoline
CAS: 91-62-3 | C10H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-62-3
Molecular Formula:
C10H9N
Molecular Weight:
143.189 g/mol
Names and Synonyms:
6-Methylquinoline
Quinoline, 6-methyl-
6-Methylquinoline
NSC 4152
Identifiers:
SMILES:
Cc1ccc2ncccc2c1
InChI:
InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 143.19 g/mol | Legacy Database |
| cas-boiling-point | 258.6 °C None | Legacy Database |
| cas-canonical-smile | N1=CC=CC2=CC(=CC=C12)C None | Legacy Database |
| cas-inchi | InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LUYISICIYVKBTA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -22 °C None | Legacy Database |
| cas-name | 6-Methylquinoline None | Legacy Database |
| LogP | 2.5432200000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.189 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.073499288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.89 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.480000000000025 | RDKit |
