CAS 106-50-3|1,4-Diaminobenzene|1,4-Phenylenediamine|p-PHENYLENEDIAMINE|benzene-1,4-diamine|1,4-Benzenediamine|p-phenylenediamine|Benzene-1,4-diamine|Developer PF|Peltol D|p-Diaminobenzene|4-Aminoan...

General Information

Structure

Molecular Formula

C₆H₈N₂

Molecular Mass

108.14112

Exact Mass

108.06874827

Charge

0

InChI

InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2

InChIKey

CBCKQZAAMUWICA-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)N

Isomeric Smiles

Nc1ccc(cc1)N

Calculated Properties

JChem

LogD (pH = 7.4)

0.27

LogD (pH = 5.5)

-0.67

Log P

0.32

Rotatable Bonds

0

H Donor

2

H Acceptors

2

Lipinski's Rule of Five

true

Acid pKa

6.46

Polar Surface Area

52.04

Polarizability

11.72

Molar Refractivity

35.46

LOG S

-0.98

Data Source

Academic Data

Data Source

Names and Identifiers

Synonyms

p-PHENYLENEDIAMINE1,4-Benzenediamine1,4-Diaminobenzene1,4-PhenylenediamineBenzene-1,4-diamineDeveloper PFBenzofur DPeltol DFourrine DDurafur Black Rp-Diaminobenzenep-Phenylenediamine4-Aminoaniline4-aminophenylamine4-PhenylenediamineC.I. Developer 131,4-DiaminobenzolFourrine 1Fouramine DBASF Ursol D1,4-Phenylenediamine(4-Aminophenyl)aminePPD1,4-DiaminobenzeneParaphenylenediamine对苯二胺p-Phenylenediamine对二氨基苯1,4-苯二胺1,4-二氨基苯1,4-diaminobenzeneparaphenylene-diaminePPDAp-DiaminobenzenePPD1,4-phenylenediamine4-Aminoanilineparaphenylenediaminep-phenylenediamine basepPDA4-phenylenediamine1,4-Benzenediaminep-Phenylenediaminepara-phenylenediamine

IUPAC Traditional name

p-phenylenediamine

IUPAC name

benzene-1,4-diamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

Merck Index

PubChem SID

24887301248566301620728882489872456464416

Unique Ingredient Identifier

Wikipedia Title

KEGG ID

PubChem CID

PubMed Citation Links

873586924385090178270201395635106943128254706194695192325733618844695154624652351034011495521216165611077113317256041190992701883773220565505954097319958436

BKMS React Database

43761501634934951138153134

BRENDA Database

1.11.1.71.4.1.201.10.3.21.7.1.61.16.3.11.4.3.221.21.3.44.8.1.21.11.1.131.11.1.197.1.1.92.3.1.51.3.3.52.5.1.2

BRENDA Ligand Database

43761511384934950163153134

ACToR Database

106-50-3

UniProt Database

F4KD71Q9UKV8Q2V0W1

SureChEMBL Database

SCHEMBL27981

CHEBI ID

CHEBI:521550CHEBI:51403

Chemspider ID

NMRShiftDB Database

IEDB Database

SABIO-RK Database

DrugBank ID

Reaxys Registry

CHEMBL

HMDB Database

CompTox Database

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02151830

Crystalline
Free Base
This product will darken during storage.

Wikipedia

P-Phenylenediamine

Sigma Aldrich

P6001

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Anti-fade reagent added to the mounting medium in fluorescence microscopy to retard photobleaching of fluorescein and other fluorescent dyes.
Biochem/physiol Actions
Electron Donor. Reduces cytochrome c.
Caution
Darkens in storage.
包装
1 kg in glass bottle
50, 100, 250 g in glass bottle

275158

Packaging
1 g in glass bottle
250 mg in glass bottle

695106

Packaging
1, 5 g in glass bottle

78429

Packaging
100, 250 g in glass bottle

TRC

P319845

A hair dye component, paraphenylenediamine, as a contact allergen for treatment of inflammatory diseases.

ChEBI

CHEBI:51403

A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.