4-(4-aminophenyl)aniline;tetrahydrochloride

C12H16Cl4N2 — CID 68733336

IUPAC4-(4-aminophenyl)aniline;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.4ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;;/h1-8H,13-14H2;4*1H
InChIKeyCAGIBWZLRAAFJF-UHFFFAOYSA-N
MW330.09 g/mol
LogP4.21
Rot. Bonds1

About 4-(4-aminophenyl)aniline;tetrahydrochloride

4-(4-aminophenyl)aniline;tetrahydrochloride (PubChem CID 68733336) has the molecular formula C12H16Cl4N2 and a molecular weight of 330.09 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;tetrahydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;tetrahydrochloride
PubChem CID68733336
Molecular FormulaC12H16Cl4N2
Molecular Weight330.09 g/mol
Exact Mass328.01
IUPAC Name4-(4-aminophenyl)aniline;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.4ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;;/h1-8H,13-14H2;4*1H
InChIKeyCAGIBWZLRAAFJF-UHFFFAOYSA-N
XLogP4.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 54.21
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 4-(4-aminophenyl)aniline;tetrahydrochloride?
The IUPAC name of 4-(4-aminophenyl)aniline;tetrahydrochloride (CID 68733336) is 4-(4-aminophenyl)aniline;tetrahydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)aniline;tetrahydrochloride?
The canonical SMILES for 4-(4-aminophenyl)aniline;tetrahydrochloride is Cl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;tetrahydrochloride?
The InChIKey is CAGIBWZLRAAFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.4ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;;/h1-8H,13-14H2;4*1H.
What are the key properties of 4-(4-aminophenyl)aniline;tetrahydrochloride?
4-(4-aminophenyl)aniline;tetrahydrochloride has a molecular weight of 330.09 g/mol, XLogP of 4.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;tetrahydrochloride is sourced from PubChem (CID 68733336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).