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Molecule
6-Methoxy-8-Aminoquinoline
CAS: 90-52-8 · C10H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 90-52-8
- Molecular Formula
- C10H10N2O
- Molecular Mass
- 174.20 g/mol
Identifiers
CAS Registry Number
90-52-8
SMILES
COc1cc(N)c2ncccc2c1
InChI Key
YGGTVPCTAKYCSQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
Names and Synonyms
- 6-Methoxy-8-Aminoquinoline Synonym
- 8-Quinolinamine, 6-methoxy- Synonym
- Quinoline, 8-amino-6-methoxy- Synonym
- 6-Methoxy-8-quinolinamine Synonym
- Amichin Synonym
- 8-Amino-6-methoxyquinoline Synonym
- 6-Methoxy-8-aminoquinoline Synonym
- WR 15081 Synonym
- 6-Methoxyquinolin-8-ylamine Synonym
- NSC 119507 Synonym
- NSC 119508 Synonym
- NSC 13573 Synonym
- 6-Methoxyquinolin-8-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.20300000000003 g/mol | RDKit | |
| 174.203 g/mol | RDKit | |
| Canonical SMILES | N1=CC=CC2=CC(OC)=CC(N)=C12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YGGTVPCTAKYCSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41 °C | CAS Common Chemistry |
| Name | 6-Methoxy-8-aminoquinoline | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.14 Ų | RDKit |
| 47.61 Ų | chempirical lib | |
| LogP | 1.8256 | RDKit |
| Molar Refractivity | 52.707400000000014 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 174.07931294 g/mol | RDKit |
| Boiling Point | 137-138 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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6
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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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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 = 174.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10N2O.
