4-aminobenzenediazonium

C6H6N3+ — CID 14451960

IUPAC4-aminobenzenediazonium
SMILESN#[N+]c1ccc(N)cc1
InChIInChI=1S/C6H6N3/c7-5-1-3-6(9-8)4-2-5/h1-4H,7H2/q+1
InChIKeyJDQOQWKEOLQHKB-UHFFFAOYSA-N
MW120.13 g/mol
LogP1.75
Rot. Bonds

About 4-aminobenzenediazonium

4-aminobenzenediazonium (PubChem CID 14451960) has the molecular formula C6H6N3+ and a molecular weight of 120.13 g/mol. Its IUPAC name is 4-aminobenzenediazonium.

Molecular Properties

Compound Name4-aminobenzenediazonium
PubChem CID14451960
Molecular FormulaC6H6N3+
Molecular Weight120.13 g/mol
Exact Mass120.06
IUPAC Name4-aminobenzenediazonium
SMILESN#[N+]c1ccc(N)cc1
InChIInChI=1S/C6H6N3/c7-5-1-3-6(9-8)4-2-5/h1-4H,7H2/q+1
InChIKeyJDQOQWKEOLQHKB-UHFFFAOYSA-N
XLogP1.75
TPSA54.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenediazonium?
The IUPAC name of 4-aminobenzenediazonium (CID 14451960) is 4-aminobenzenediazonium.
What is the SMILES notation for 4-aminobenzenediazonium?
The canonical SMILES for 4-aminobenzenediazonium is N#[N+]c1ccc(N)cc1.
What is the InChIKey of 4-aminobenzenediazonium?
The InChIKey is JDQOQWKEOLQHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3/c7-5-1-3-6(9-8)4-2-5/h1-4H,7H2/q+1.
What are the key properties of 4-aminobenzenediazonium?
4-aminobenzenediazonium has a molecular weight of 120.13 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenediazonium is sourced from PubChem (CID 14451960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).