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6-Methoxy-8-Aminoquinoline
CAS: 90-52-8 | C10H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-52-8
Molecular Formula:
C10H10N2O
Molecular Mass:
174.20 g/mol
Names and Synonyms:
6-Methoxy-8-Aminoquinoline
8-Quinolinamine, 6-methoxy-
Quinoline, 8-amino-6-methoxy-
6-Methoxy-8-quinolinamine
Amichin
8-Amino-6-methoxyquinoline
6-Methoxy-8-aminoquinoline
WR 15081
6-Methoxyquinolin-8-ylamine
NSC 119507
NSC 119508
NSC 13573
6-Methoxyquinolin-8-amine
Identifiers:
SMILES:
COc1cc(N)c2ncccc2c1
InChI:
InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
Key Properties
Boiling Point
137-138 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
41 °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 | 174.20 g/mol | CAS Common Chemistry |
| 174.20300000000003 g/mol | RDKit | |
| 174.07931294 g/mol | RDKit | |
| Boiling Point | 137-138 °C @ Press: 1 Torr | CAS Common Chemistry |
| 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 |
| LogP | 1.8256 | RDKit |
| Molar Refractivity | 52.707400000000014 | RDKit |
