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2-Aminoquinoline
CAS: 580-22-3 | C9H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
580-22-3
Molecular Formula:
C9H8N2
Molecular Weight:
144.177 g/mol
Names and Synonyms:
2-Aminoquinoline
NSC 58387
NSC 57739
2-Quinolinylamine
2-Aminoquinoline
Quinoline, 1,2-dihydro-2-imino-
Quinoline, 2-amino-
2-Quinolinamine
Identifiers:
SMILES:
N=c1ccc2ccccc2[nH]1
InChI:
InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 144.18 g/mol | Legacy Database |
| cas-canonical-smile | N=1C(N)=CC=C2C=CC=CC12 None | Legacy Database |
| cas-inchi | InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) None | Legacy Database |
| cas-inchi-key | InChIKey=GCMNJUJAKQGROZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 131.5 °C None | Legacy Database |
| cas-name | 2-Aminoquinoline None | Legacy Database |
| LogP | 1.6473699999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.177 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.068748256 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 39.64 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.15340000000001 | RDKit |
