4-anilino-2-(hydroxymethyl)benzenediazonium

C13H12N3O+ — CID 58028387

IUPAC4-anilino-2-(hydroxymethyl)benzenediazonium
SMILESN#[N+]c1ccc(Nc2ccccc2)cc1CO
InChIInChI=1S/C13H12N3O/c14-16-13-7-6-12(8-10(13)9-17)15-11-4-2-1-3-5-11/h1-8,15,17H,9H2/q+1
InChIKeyOCSWZUIMSVCZPM-UHFFFAOYSA-N
MW226.26 g/mol
LogP3.41
Rot. Bonds3

About 4-anilino-2-(hydroxymethyl)benzenediazonium

4-anilino-2-(hydroxymethyl)benzenediazonium (PubChem CID 58028387) has the molecular formula C13H12N3O+ and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-anilino-2-(hydroxymethyl)benzenediazonium.

Molecular Properties

Compound Name4-anilino-2-(hydroxymethyl)benzenediazonium
PubChem CID58028387
Molecular FormulaC13H12N3O+
Molecular Weight226.26 g/mol
Exact Mass226.10
IUPAC Name4-anilino-2-(hydroxymethyl)benzenediazonium
SMILESN#[N+]c1ccc(Nc2ccccc2)cc1CO
InChIInChI=1S/C13H12N3O/c14-16-13-7-6-12(8-10(13)9-17)15-11-4-2-1-3-5-11/h1-8,15,17H,9H2/q+1
InChIKeyOCSWZUIMSVCZPM-UHFFFAOYSA-N
XLogP3.41
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-anilino-2-methoxybenzenediazonium bromide
CID 19770680
4-anilinonaphthalene-1-diazonium
CID 19777771
hydrazine;N-phenylaniline
CID 159755629
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
2-hexyl-4-N-phenylbenzene-1,4-diamine
CID 67108277
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
N-phenylphenanthren-2-amine
CID 23175030
azane;N-phenylaniline
CID 67074378
4-iodo-N-phenylaniline
CID 11471947
CID 175904297
CID 175904297
4-anilino-2-methoxybenzenediazonium;benzyl ethenyl sulfate
CID 22141896

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(hydroxymethyl)benzenediazonium?
The IUPAC name of 4-anilino-2-(hydroxymethyl)benzenediazonium (CID 58028387) is 4-anilino-2-(hydroxymethyl)benzenediazonium.
What is the SMILES notation for 4-anilino-2-(hydroxymethyl)benzenediazonium?
The canonical SMILES for 4-anilino-2-(hydroxymethyl)benzenediazonium is N#[N+]c1ccc(Nc2ccccc2)cc1CO.
What is the InChIKey of 4-anilino-2-(hydroxymethyl)benzenediazonium?
The InChIKey is OCSWZUIMSVCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N3O/c14-16-13-7-6-12(8-10(13)9-17)15-11-4-2-1-3-5-11/h1-8,15,17H,9H2/q+1.
What are the key properties of 4-anilino-2-(hydroxymethyl)benzenediazonium?
4-anilino-2-(hydroxymethyl)benzenediazonium has a molecular weight of 226.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(hydroxymethyl)benzenediazonium is sourced from PubChem (CID 58028387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).