C13H20Cl2N2 — CID 105293920
1-(2,4-dichlorophenyl)heptylhydrazine (PubChem CID 105293920) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)heptylhydrazine.
| Compound Name | 1-(2,4-dichlorophenyl)heptylhydrazine |
|---|---|
| PubChem CID | 105293920 |
| Molecular Formula | C13H20Cl2N2 |
| Molecular Weight | 275.22 g/mol |
| Exact Mass | 274.10 |
| IUPAC Name | 1-(2,4-dichlorophenyl)heptylhydrazine |
| SMILES | CCCCCCC(NN)c1ccc(Cl)cc1Cl |
| InChI | InChI=1S/C13H20Cl2N2/c1-2-3-4-5-6-13(17-16)11-8-7-10(14)9-12(11)15/h7-9,13,17H,2-6,16H2,1H3 |
| InChIKey | GYRXKKFSDCHYJR-UHFFFAOYSA-N |
| XLogP | 4.47 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 275.22 |
| LogP ≤ 5 | 4.47 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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