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Molecule
8-Aminoquinaldine
CAS: 18978-78-4 · C10H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18978-78-4
- Molecular Formula
- C10H10N2
- Molecular Mass
- 158.20 g/mol
Identifiers
CAS Registry Number
18978-78-4
SMILES
Cc1ccc2cccc(N)c2n1
InChI Key
JHIAOWGCGNMQKA-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3
Names and Synonyms
- 8-Aminoquinaldine Systematic Name
- 8-Quinolinamine, 2-methyl- Synonym
- Quinaldine, 8-amino- Synonym
- 2-Methyl-8-quinolinamine Synonym
- 8-Amino-2-methylquinoline Synonym
- 8-Aminoquinaldine Synonym
- NSC 7944 Synonym
- (2-Methylquinolin-8-yl)amine Synonym
- 2-Methyl-8-aminoquinoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.20 g/mol | CAS Common Chemistry |
| 158.20399999999998 g/mol | RDKit | |
| 158.204 g/mol | RDKit | |
| Canonical SMILES | N=1C(=CC=C2C=CC=C(N)C12)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JHIAOWGCGNMQKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56 °C | CAS Common Chemistry |
| Name | 8-Aminoquinaldine | 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 | 2.1254199999999996 | 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.
