NAV

p-Phenylenediamine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
p-Phenylenediamine
DrugBank Accession Number
DB14141
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
3D
Similar Structures
Weight
Average: 108.144
Monoisotopic: 108.068748266
Chemical Formula
C6H8N2
Synonyms
  • 1,4-Benzenediamine
  • 1,4-diaminobenzene
  • 1,4-phenylenediamine
  • 4-Aminoaniline
  • 4-phenylenediamine
  • p-Diaminobenzene
  • para-phenylenediamine
  • paraphenylene-diamine
  • PPD
  • pPDA
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
No interactions found.

Products

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Product Ingredients
IngredientUNIICASInChI Key
p-Phenylenediamine dihydrochlorideGL418131I1624-18-0IYXMNTLBLQNMLM-UHFFFAOYSA-N
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Beautiful Womans Hair Loves Colorful Bubbles Hair Dye 3n Dark BrownLiquid0.01 mg/1mLTopicalModlina Cosmetics Co., Ltd2013-08-12Not applicableUS flag
ELF ColorCream9.58 g/479.39gTopicalGiod Co.2015-09-05Not applicableUS flag
Obeo The Mee Plus Hair Color Cream Dark BrownCream2.39 mg/150gTopicalCPbio Co., Ltd2016-03-02Not applicableUS flag
Obeo The Mee Plus Hair Color Cream Natural BrownCream1.2 mg/150gTopicalCPbio Co., Ltd2016-03-02Not applicableUS flag
TMCA HAIR COLOR Number Six (Natural dark brown)Liquid1.6 g/100gTopicalGahwa Well Food Co.,Ltd2015-09-03Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
T.R.U.E. Test Thin-Layer Rapid Use Patch Testp-Phenylenediamine (65 ug/48h) + 2,2'-Dibenzothiazyl disulfide (20 ug/48h) + 2-mercaptobenzothiazole (61 ug/48h) + 4-(Isopropylamino)diphenylamine (10 ug/48h) + Bacitracin (486 ug/48h) + Balsam of Peru (648 ug/48h) + Benzocaine (378 ug/48h) + Benzylparaben (162 ug/48h) + Bisphenol A diglycidyl ether (32 ug/48h) + Bromothalonil (4 ug/48h) + Bronopol (203 ug/48h) + Budesonide (0.8 ug/48h) + Butylparaben (162 ug/48h) + Chlorquinaldol (77 ug/48h) + Cinchocaine hydrochloride (66 ug/48h) + Cinnamaldehyde (41 ug/48h) + Cinnamyl alcohol (63 ug/48h) + Clioquinol (77 ug/48h) + Cobalt chloride hexahydrate (4 ug/48h) + Diazolidinylurea (446 ug/48h) + Potassium dichromate (15.7 ug/48h) + Dipentamethylenethiuram disulfide (5.5 ug/48h) + Diphenylguanidine (68 ug/48h) + Disperse Blue 106 (41 ug/48h) + Disulfiram (5.5 ug/48h) + Ditiocarb zinc (68 ug/48h) + Ethyl hydroxybenzoate (162 ug/48h) + Ethylenediamine (18 ug/48h) + Eugenol (41 ug/48h) + Evernia prunastri (81 ug/48h) + Formaldehyde (146 ug/48h) + Geraniol (81 ug/48h) + Hydrocortisone butyrate (16 ug/48h) + Hydroxycitronellal (63 ug/48h) + Imidurea (486 ug/48h) + Isoeugenol (17 ug/48h) + Lanolin alcohols (810 ug/48h) + Methylchloroisothiazolinone (3 ug/48h) + Methylparaben (162 ug/48h) + Morpholinylmercaptobenzothiazole (20 ug/48h) + N,N'-diphenyl-1,4-phenylenediamine (25 ug/48h) + N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine (25 ug/48h) + Neomycin sulfate (486 ug/48h) + Nickel sulfate hexahydrate (36 ug/48h) + Parthenolide (2 ug/48h) + Propylparaben (162 ug/48h) + Quaternium-15 (81 ug/48h) + Rosin (972 ug/48h) + Sodium aurotiosulfate (23 ug/48h) + Tetracaine hydrochloride (66 ug/48h) + Tetramethylthiuram monosulfide (5.5 ug/48h) + Thimerosal (6 ug/48h) + Thiohexam (20 ug/48h) + Thiram (5.5 ug/48h) + Tixocortol pivalate (2 ug/48h) + Zinc dibutyldithiocarbamate (68 ug/48h) + alpha-Amyl cinnamaldehyde (17 ug/48h) + p-tert-Butylphenol-formaldehyde resin (low molecular weight) (36 ug/48h)KitCutaneousSmartPractice Denmark ApS2012-03-01Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Beautiful Womans Hair Loves Colorful Bubbles Hair Dye 3n Dark Brownp-Phenylenediamine (0.01 mg/1mL)LiquidTopicalModlina Cosmetics Co., Ltd2013-08-12Not applicableUS flag
ELF Colorp-Phenylenediamine (9.58 g/479.39g)CreamTopicalGiod Co.2015-09-05Not applicableUS flag
Obeo The Mee Plus Hair Color Cream Dark Brownp-Phenylenediamine (2.39 mg/150g)CreamTopicalCPbio Co., Ltd2016-03-02Not applicableUS flag
Obeo The Mee Plus Hair Color Cream Natural Brownp-Phenylenediamine (1.2 mg/150g)CreamTopicalCPbio Co., Ltd2016-03-02Not applicableUS flag
TMCA HAIR COLOR Number Six (Natural dark brown)p-Phenylenediamine (1.6 g/100g)LiquidTopicalGahwa Well Food Co.,Ltd2015-09-03Not applicableUS flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Aniline and substituted anilines
Direct Parent
Aniline and substituted anilines
Alternative Parents
Primary amines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aniline or substituted anilines / Aromatic homomonocyclic compound / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Primary amine
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
phenylenediamine (CHEBI:51403) / a small molecule (CPD-10835)
Affected organisms
Not Available

Chemical Identifiers

UNII
U770QIT64J
CAS number
106-50-3
InChI Key
CBCKQZAAMUWICA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
IUPAC Name
benzene-1,4-diamine
SMILES
NC1=CC=C(N)C=C1

References

General References
Not Available
KEGG Compound
C19499
ChemSpider
13835179
RxNav
1362740
ChEBI
51403
ChEMBL
CHEMBL403741
ZINC
ZINC000008294962
Wikipedia
P-Phenylenediamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
LiquidTopical0.01 mg/1mL
CreamTopical9.58 g/479.39g
CreamTopical2.39 mg/150g
CreamTopical1.2 mg/150g
KitCutaneous
LiquidTopical1.6 g/100g
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility75.8 mg/mLALOGPS
logP-0.01ALOGPS
logP0.32Chemaxon
logS-0.15ALOGPS
pKa (Strongest Basic)6.46Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area52.04 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity35.46 m3·mol-1Chemaxon
Polarizability11.72 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Mass Spectrum (Electron Ionization)MSsplash10-0a4i-9800000000-e3b4bf12745fc30aecd9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-591d027e456b5eaaf39b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-ca71bddf12ad60a0f159
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-6900000000-e36a025cf38c667690ee
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1900000000-dbd828f8d4bd69a93715
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-9000000000-9454889d1f3030104834
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-f367df6a1f4add94a2ca
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-121.89571
predicted
DeepCCS 1.0 (2019)
[M+H]+125.23604
predicted
DeepCCS 1.0 (2019)
[M+Na]+133.90022
predicted
DeepCCS 1.0 (2019)

Drug created at June 27, 2018 19:32 / Updated at June 22, 2021 18:16