4-(aminomethyl)benzenediazonium

C7H8N3+ — CID 21133492

IUPAC4-(aminomethyl)benzenediazonium
SMILESN#[N+]c1ccc(CN)cc1
InChIInChI=1S/C7H8N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5,8H2/q+1
InChIKeyPQBWUHWJQRHCQH-UHFFFAOYSA-N
MW134.16 g/mol
LogP1.63
Rot. Bonds1

About 4-(aminomethyl)benzenediazonium

4-(aminomethyl)benzenediazonium (PubChem CID 21133492) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is 4-(aminomethyl)benzenediazonium.

Molecular Properties

Compound Name4-(aminomethyl)benzenediazonium
PubChem CID21133492
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name4-(aminomethyl)benzenediazonium
SMILESN#[N+]c1ccc(CN)cc1
InChIInChI=1S/C7H8N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5,8H2/q+1
InChIKeyPQBWUHWJQRHCQH-UHFFFAOYSA-N
XLogP1.63
TPSA54.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzenediazonium?
The IUPAC name of 4-(aminomethyl)benzenediazonium (CID 21133492) is 4-(aminomethyl)benzenediazonium.
What is the SMILES notation for 4-(aminomethyl)benzenediazonium?
The canonical SMILES for 4-(aminomethyl)benzenediazonium is N#[N+]c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)benzenediazonium?
The InChIKey is PQBWUHWJQRHCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5,8H2/q+1.
What are the key properties of 4-(aminomethyl)benzenediazonium?
4-(aminomethyl)benzenediazonium has a molecular weight of 134.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzenediazonium is sourced from PubChem (CID 21133492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).