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6-Amino-2-Methylquinoline
CAS: 65079-19-8 | C10H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
65079-19-8
Molecular Formula:
C10H10N2
Molecular Mass:
158.20 g/mol
Names and Synonyms:
6-Amino-2-Methylquinoline
6-Quinolinamine, 2-methyl-
Quinaldine, 6-amino-
2-Methyl-6-quinolinamine
2-Methyl-6-aminoquinoline
6-Aminoquinaldine
6-Amino-2-methylquinoline
2-Methylquinolin-6-amine
(2-Methylquinolin-6-yl)amine
Identifiers:
SMILES:
Cc1ccc2cc(N)ccc2n1
InChI:
InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3
Key Properties
Melting Point
185-187 °C
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 | 158.20 g/mol | CAS Common Chemistry |
| 158.204 g/mol | RDKit | |
| 158.08439832 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 |
| LogP | 2.12542 | RDKit |
| Molar Refractivity | 50.89240000000001 | RDKit |
