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Molecule
6-Amino-2-Methylquinoline
CAS: 65079-19-8 · C10H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 65079-19-8
- Molecular Formula
- C10H10N2
- Molecular Mass
- 158.20 g/mol
Identifiers
CAS Registry Number
65079-19-8
SMILES
Cc1ccc2cc(N)ccc2n1
InChI Key
TYJFYUVDUUACKX-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3
Names and Synonyms
- 6-Amino-2-Methylquinoline Synonym
- 6-Quinolinamine, 2-methyl- Synonym
- Quinaldine, 6-amino- Synonym
- 2-Methyl-6-quinolinamine Synonym
- 2-Methyl-6-aminoquinoline Synonym
- 6-Aminoquinaldine Synonym
- 6-Amino-2-methylquinoline Synonym
- 2-Methylquinolin-6-amine Synonym
- (2-Methylquinolin-6-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.20 g/mol | CAS Common Chemistry |
| 158.204 g/mol | RDKit | |
| Canonical SMILES | N=1C=2C=CC(N)=CC2C=CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TYJFYUVDUUACKX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185-187 °C | CAS Common Chemistry |
| Name | 6-Amino-2-methylquinoline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| 38.38 Ų | chempirical lib | |
| LogP | 2.12542 | RDKit |
| 2.1254 | RDKit | |
| Molar Refractivity | 50.89240000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 158.08439832 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 = 158.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10N2.
