4-[(4-aminophenyl)diazenyl]aniline

C12H12N4 — CID 10855

IUPAC4-[(4-aminophenyl)diazenyl]aniline
SMILESNc1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N4/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2/b16-15+
InChIKeyKQIKKETXZQDHGE-FOCLMDBBSA-N
MW212.26 g/mol
LogP3.27
Rot. Bonds2

About 4-[(4-aminophenyl)diazenyl]aniline

4-[(4-aminophenyl)diazenyl]aniline (PubChem CID 10855) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-[(4-aminophenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)diazenyl]aniline
PubChem CID10855
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-[(4-aminophenyl)diazenyl]aniline
SMILESNc1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N4/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2/b16-15+
InChIKeyKQIKKETXZQDHGE-FOCLMDBBSA-N
XLogP3.27
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)diazenyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)diazenyl]aniline (CID 10855) is 4-[(4-aminophenyl)diazenyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)diazenyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)diazenyl]aniline is Nc1ccc(/N=N/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)diazenyl]aniline?
The InChIKey is KQIKKETXZQDHGE-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H12N4/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2/b16-15+.
What are the key properties of 4-[(4-aminophenyl)diazenyl]aniline?
4-[(4-aminophenyl)diazenyl]aniline has a molecular weight of 212.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)diazenyl]aniline is sourced from PubChem (CID 10855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).