3,5-dichlorobenzene-1,2-diamine;dihydrochloride

C6H8Cl4N2 — CID 17385558

IUPAC3,5-dichlorobenzene-1,2-diamine;dihydrochloride
SMILESCl.Cl.Nc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C6H6Cl2N2.2ClH/c7-3-1-4(8)6(10)5(9)2-3;;/h1-2H,9-10H2;2*1H
InChIKeyIFEJKSNRKVRTAI-UHFFFAOYSA-N
MW249.96 g/mol
LogP3.00
Rot. Bonds

About 3,5-dichlorobenzene-1,2-diamine;dihydrochloride

3,5-dichlorobenzene-1,2-diamine;dihydrochloride (PubChem CID 17385558) has the molecular formula C6H8Cl4N2 and a molecular weight of 249.96 g/mol. Its IUPAC name is 3,5-dichlorobenzene-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name3,5-dichlorobenzene-1,2-diamine;dihydrochloride
PubChem CID17385558
Molecular FormulaC6H8Cl4N2
Molecular Weight249.96 g/mol
Exact Mass247.94
IUPAC Name3,5-dichlorobenzene-1,2-diamine;dihydrochloride
SMILESCl.Cl.Nc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C6H6Cl2N2.2ClH/c7-3-1-4(8)6(10)5(9)2-3;;/h1-2H,9-10H2;2*1H
InChIKeyIFEJKSNRKVRTAI-UHFFFAOYSA-N
XLogP3.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.96
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichlorobenzene-1,2-diamine;dihydrochloride?
The IUPAC name of 3,5-dichlorobenzene-1,2-diamine;dihydrochloride (CID 17385558) is 3,5-dichlorobenzene-1,2-diamine;dihydrochloride.
What is the SMILES notation for 3,5-dichlorobenzene-1,2-diamine;dihydrochloride?
The canonical SMILES for 3,5-dichlorobenzene-1,2-diamine;dihydrochloride is Cl.Cl.Nc1cc(Cl)cc(Cl)c1N.
What is the InChIKey of 3,5-dichlorobenzene-1,2-diamine;dihydrochloride?
The InChIKey is IFEJKSNRKVRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2.2ClH/c7-3-1-4(8)6(10)5(9)2-3;;/h1-2H,9-10H2;2*1H.
What are the key properties of 3,5-dichlorobenzene-1,2-diamine;dihydrochloride?
3,5-dichlorobenzene-1,2-diamine;dihydrochloride has a molecular weight of 249.96 g/mol, XLogP of 3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorobenzene-1,2-diamine;dihydrochloride is sourced from PubChem (CID 17385558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).