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
Structure for p-Phenylenediamine (DB14141)
- 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
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key p-Phenylenediamine dihydrochloride GL418131I1 624-18-0 IYXMNTLBLQNMLM-UHFFFAOYSA-N - Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Beautiful Womans Hair Loves Colorful Bubbles Hair Dye 3n Dark Brown Liquid 0.01 mg/1mL Topical Modlina Cosmetics Co., Ltd 2013-08-12 Not applicable US 
ELF Color Cream 9.58 g/479.39g Topical Giod Co. 2015-09-05 Not applicable US Obeo The Mee Plus Hair Color Cream Dark Brown Cream 2.39 mg/150g Topical CPbio Co., Ltd 2016-03-02 Not applicable US Obeo The Mee Plus Hair Color Cream Natural Brown Cream 1.2 mg/150g Topical CPbio Co., Ltd 2016-03-02 Not applicable US TMCA HAIR COLOR Number Six (Natural dark brown) Liquid 1.6 g/100g Topical Gahwa Well Food Co.,Ltd 2015-09-03 Not applicable US - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image T.R.U.E. Test Thin-Layer Rapid Use Patch Test p-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) Kit Cutaneous SmartPractice Denmark ApS 2012-03-01 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Beautiful Womans Hair Loves Colorful Bubbles Hair Dye 3n Dark Brown p-Phenylenediamine (0.01 mg/1mL) Liquid Topical Modlina Cosmetics Co., Ltd 2013-08-12 Not applicable US ELF Color p-Phenylenediamine (9.58 g/479.39g) Cream Topical Giod Co. 2015-09-05 Not applicable US Obeo The Mee Plus Hair Color Cream Dark Brown p-Phenylenediamine (2.39 mg/150g) Cream Topical CPbio Co., Ltd 2016-03-02 Not applicable US Obeo The Mee Plus Hair Color Cream Natural Brown p-Phenylenediamine (1.2 mg/150g) Cream Topical CPbio Co., Ltd 2016-03-02 Not applicable US TMCA HAIR COLOR Number Six (Natural dark brown) p-Phenylenediamine (1.6 g/100g) Liquid Topical Gahwa Well Food Co.,Ltd 2015-09-03 Not applicable US
Categories
- Drug Categories
- Amines
- Amino Acids, Peptides, and Proteins
- Aniline Compounds
- Antigens
- Antigens, Bacterial
- Azo Compounds
- Bacterial Proteins
- Biological Factors
- Cell-mediated Immunity
- Coloring Agents
- Compounds used in a research, industrial, or household setting
- Diamines
- Increased Histamine Release
- Indicators and Reagents
- Laboratory Chemicals
- Polyamines
- Proteins
- Standardized Chemical Allergen
- Tuberculin
- 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
- External Links
- KEGG Compound
- C19499
- ChemSpider
- 13835179
- 1362740
- ChEBI
- 51403
- ChEMBL
- CHEMBL403741
- ZINC
- ZINC000008294962
- Wikipedia
- P-Phenylenediamine
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Liquid Topical 0.01 mg/1mL Cream Topical 9.58 g/479.39g Cream Topical 2.39 mg/150g Cream Topical 1.2 mg/150g Kit Cutaneous Liquid Topical 1.6 g/100g - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 75.8 mg/mL ALOGPS logP -0.01 ALOGPS logP 0.32 Chemaxon logS -0.15 ALOGPS pKa (Strongest Basic) 6.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.04 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 35.46 m3·mol-1 Chemaxon Polarizability 11.72 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Mass Spectrum (Electron Ionization) MS splash10-0a4i-9800000000-e3b4bf12745fc30aecd9 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available 1H NMR Spectrum 1D NMR Not Applicable 13C NMR Spectrum 1D NMR Not Applicable
Drug created at June 27, 2018 19:32 / Updated at June 22, 2021 18:16