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6-Chloro-N-Methyl-3-Pyridazinamine
CAS: 14959-32-1 | C5H6ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14959-32-1
Molecular Formula:
C5H6ClN3
Molecular Mass:
143.58 g/mol
Names and Synonyms:
6-Chloro-N-Methyl-3-Pyridazinamine
3-Pyridazinamine, 6-chloro-N-methyl-
Pyridazine, 3-chloro-6-(methylamino)-
6-Chloro-N-methyl-3-pyridazinamine
3-Chloro-6-(methylamino)pyridazine
Identifiers:
SMILES:
CN=c1ccc(Cl)n[nH]1
InChI:
InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
Key Properties
Melting Point
198-199 °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 | 143.58 g/mol | CAS Common Chemistry |
| 143.577 g/mol | RDKit | |
| 143.025024872 g/mol | RDKit | |
| Canonical SMILES | ClC1=NN=C(C=C1)NC | CAS Common Chemistry |
| InChI | InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9) | CAS Common Chemistry |
| InChI Key | InChIKey=IHSYIVAZIINDFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-199 °C | CAS Common Chemistry |
| Name | 6-Chloro-N-methyl-3-pyridazinamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.04 Ų | RDKit |
| LogP | 0.5935999999999999 | RDKit |
| Molar Refractivity | 35.0847 | RDKit |
