About 1-(2-chlorophenyl)butylhydrazine
1-(2-chlorophenyl)butylhydrazine (PubChem CID 105202004) has the molecular formula C10H15ClN2
and a molecular weight of 198.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)butylhydrazine.
Molecular Properties
| Compound Name | 1-(2-chlorophenyl)butylhydrazine |
| PubChem CID | 105202004 |
| Molecular Formula | C10H15ClN2 |
| Molecular Weight | 198.70 g/mol |
| Exact Mass | 198.09 |
| IUPAC Name | 1-(2-chlorophenyl)butylhydrazine |
| SMILES | CCCC(NN)c1ccccc1Cl |
| InChI | InChI=1S/C10H15ClN2/c1-2-5-10(13-12)8-6-3-4-7-9(8)11/h3-4,6-7,10,13H,2,5,12H2,1H3 |
| InChIKey | UNAVRGRWOMMEAO-UHFFFAOYSA-N |
| XLogP | 2.64 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 198.70 |
| LogP ≤ 5 | 2.64 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-chlorophenyl)butylhydrazine?
The IUPAC name of 1-(2-chlorophenyl)butylhydrazine (CID 105202004) is 1-(2-chlorophenyl)butylhydrazine.
What is the SMILES notation for 1-(2-chlorophenyl)butylhydrazine?
The canonical SMILES for 1-(2-chlorophenyl)butylhydrazine is CCCC(NN)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)butylhydrazine?
The InChIKey is UNAVRGRWOMMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-5-10(13-12)8-6-3-4-7-9(8)11/h3-4,6-7,10,13H,2,5,12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)butylhydrazine?
1-(2-chlorophenyl)butylhydrazine has a molecular weight of 198.70 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)butylhydrazine is sourced from PubChem (CID 105202004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).