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Molecule
5-Aminoquinoline
CAS: 611-34-7 · C9H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 611-34-7
- Molecular Formula
- C9H8N2
- Molecular Mass
- 144.18 g/mol
Identifiers
CAS Registry Number
611-34-7
SMILES
Nc1cccc2ncccc12
InChI Key
XMIAFAKRAAMSGX-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2
Names and Synonyms
- 5-Aminoquinoline Systematic Name
- 5-Quinolinamine Synonym
- Quinoline, 5-amino- Synonym
- 5-Aminoquinoline Synonym
- 5-Quinolylamine Synonym
- (Quinolin-5-yl)amine Synonym
- NSC 170619 Synonym
- NSC 27982 Synonym
- Quinoline-5-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.18 g/mol | CAS Common Chemistry |
| 144.177 g/mol | RDKit | |
| Boiling Point | 310 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C2C1C=CC=C2N | CAS Common Chemistry |
| InChI | InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XMIAFAKRAAMSGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C | CAS Common Chemistry |
| Name | 5-Aminoquinoline | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.817 | RDKit |
| Molar Refractivity | 46.155400000000014 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 144.068748256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 144.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H8N2.
