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4-Amino-2-Methylquinoline
CAS: 6628-04-2 | C10H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6628-04-2
Molecular Formula:
C10H10N2
Molecular Mass:
158.20 g/mol
Names and Synonyms:
4-Amino-2-Methylquinoline
4-Quinolinamine, 2-methyl-
Quinaldine, 4-amino-
2-Methyl-4-quinolinamine
4-Aminoquinaldine
4-Amino-2-methylquinoline
4-Quinaldinamine
2-Methyl-4-aminoquinoline
(2-Methylquinolin-4-yl)amine
NSC 60281
Identifiers:
SMILES:
Cc1cc(=N)c2ccccc2[nH]1
InChI:
InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)
Key Properties
Boiling Point
333 °C
CAS Common Chemistry
Melting Point
169 °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 | |
| Boiling Point | 333 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=2C=CC=CC2C(N)=CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=COCFIBRMFPWUDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169 °C | CAS Common Chemistry |
| Name | 4-Amino-2-methylquinoline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 1.9557899999999997 | RDKit |
| Molar Refractivity | 48.890400000000014 | RDKit |
