4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride

C12H18Cl4N4 — CID 23892

IUPAC4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)c(N)c2)cc1N
InChIInChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H
InChIKeyKJDSORYAHBAGPP-UHFFFAOYSA-N
MW360.12 g/mol
LogP3.37
Rot. Bonds1

About 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride

4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride (PubChem CID 23892) has the molecular formula C12H18Cl4N4 and a molecular weight of 360.12 g/mol. Its IUPAC name is 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride.

Molecular Properties

Compound Name4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride
PubChem CID23892
Molecular FormulaC12H18Cl4N4
Molecular Weight360.12 g/mol
Exact Mass358.03
IUPAC Name4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)c(N)c2)cc1N
InChIInChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H
InChIKeyKJDSORYAHBAGPP-UHFFFAOYSA-N
XLogP3.37
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.12
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride?
The IUPAC name of 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride (CID 23892) is 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride.
What is the SMILES notation for 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride?
The canonical SMILES for 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride is Cl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)c(N)c2)cc1N.
What is the InChIKey of 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride?
The InChIKey is KJDSORYAHBAGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H.
What are the key properties of 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride?
4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride has a molecular weight of 360.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride is sourced from PubChem (CID 23892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).