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2-Hydrazinoquinoline
CAS: 15793-77-8 | C9H9N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15793-77-8
Molecular Formula:
C9H9N3
Molecular Mass:
159.19 g/mol
Names and Synonyms:
2-Hydrazinoquinoline
Quinoline, 2-hydrazinyl-
Quinoline, 2-hydrazino-
2(1H)-Quinolinone, hydrazone
2-Hydrazinylquinoline
2-Hydrazinoquinoline
2-Quinolylhydrazine
α-Quinolylhydrazine
(2-Quinolinyl)hydrazine
NSC 525792
Identifiers:
SMILES:
NNc1ccc2ccccc2n1
InChI:
InChI=1S/C9H9N3/c10-12-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,10H2,(H,11,12)
Key Properties
Melting Point
142 °C (approx) @ Solvent: Benzene
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 | 159.19 g/mol | CAS Common Chemistry |
| 159.19199999999998 g/mol | RDKit | |
| 159.079647288 g/mol | RDKit | |
| Canonical SMILES | N(N)=C1C=CC=2C=CC=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9N3/c10-12-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,10H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=QMVCLSHKMIGEFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142 °C (approx) @ Solvent: Benzene | CAS Common Chemistry |
| Name | 2-Hydrazinoquinoline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 1.5204 | RDKit |
| Molar Refractivity | 49.553100000000015 | RDKit |
