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7-Chloro-4-Hydrazinylquinoline
CAS: 23834-14-2 | C9H8ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23834-14-2
Molecular Formula:
C9H8ClN3
Molecular Mass:
193.64 g/mol
Names and Synonyms:
7-Chloro-4-Hydrazinylquinoline
Quinoline, 7-chloro-4-hydrazinyl-
Quinoline, 7-chloro-4-hydrazino-
7-Chloro-4-hydrazinylquinoline
4-Hydrazino-7-chloroquinoline
7-Chloro-4-hydrazinoquinoline
NSC 10802
(7-Chloroquinolin-4-yl)hydrazine
Identifiers:
SMILES:
NNc1ccnc2cc(Cl)ccc12
InChI:
InChI=1S/C9H8ClN3/c10-6-1-2-7-8(13-11)3-4-12-9(7)5-6/h1-5H,11H2,(H,12,13)
Key Properties
Melting Point
220-221 °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 | 193.64 g/mol | CAS Common Chemistry |
| 193.637 g/mol | RDKit | |
| 193.040674936 g/mol | RDKit | |
| Canonical SMILES | ClC=1C=CC=2C(=NC=CC2NN)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H8ClN3/c10-6-1-2-7-8(13-11)3-4-12-9(7)5-6/h1-5H,11H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=TWJRTPKEHPDDPG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220-221 °C | CAS Common Chemistry |
| Name | 7-Chloro-4-hydrazinylquinoline | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.1738 | RDKit |
| Molar Refractivity | 54.563100000000006 | RDKit |
