NAV

4-dimethylaminophenol

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

Identification

Generic Name
4-dimethylaminophenol
DrugBank Accession Number
DB13549
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 137.182
Monoisotopic: 137.084063978
Chemical Formula
C8H11NO
Synonyms
Not Available
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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
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
4-dimethylaminophenol hydrochloride0Q0F93G1TR5882-48-4FGBQWWREKHAJIX-UHFFFAOYSA-N

Categories

ATC Codes
V03AB27 — 4-dimethylaminophenol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Dialkylarylamines
Alternative Parents
p-Aminophenols / Aniline and substituted anilines / 1-hydroxy-2-unsubstituted benzenoids / Organopnictogen compounds / Organooxygen compounds / Hydrocarbon derivatives
Substituents
1-hydroxy-2-unsubstituted benzenoid / Aminophenol / Aniline or substituted anilines / Aromatic homomonocyclic compound / Benzenoid / Dialkylarylamine / Hydrocarbon derivative / Monocyclic benzene moiety / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
X387L5559O
CAS number
619-60-3
InChI Key
JVVRCYWZTJLJSG-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
IUPAC Name
4-(dimethylamino)phenol
SMILES
CN(C)C1=CC=C(O)C=C1

References

General References
Not Available
ChemSpider
20816
RxNav
15027
ChEBI
135941
ChEMBL
CHEMBL3707216
ZINC
ZINC000001669690
Wikipedia
4-Dimethylaminophenol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility187.0 mg/mLALOGPS
logP1.59ALOGPS
logP1.78Chemaxon
logS0.13ALOGPS
pKa (Strongest Acidic)10.33Chemaxon
pKa (Strongest Basic)5.92Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity42.47 m3·mol-1Chemaxon
Polarizability15.33 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-000i-4900000000-0c084b4469fd37c5fa37
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-d289719b33cc173a7ef7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-18e3d5b0e48af9f1d2af
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-022l-3900000000-fbb1bb562d2349eac377
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-1900000000-6ca75903b592261311b9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0wmi-9400000000-d8dde04a702a11a6e129
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01bc-9200000000-f90e264f311751dc3a1f
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]-131.0598769
predicted
DarkChem Lite v0.1.0
[M-H]-127.002266
predicted
DeepCCS 1.0 (2019)
[M+H]+131.5629769
predicted
DarkChem Lite v0.1.0
[M+H]+130.82988
predicted
DeepCCS 1.0 (2019)
[M+Na]+130.9702769
predicted
DarkChem Lite v0.1.0
[M+Na]+139.96577
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at June 12, 2020 16:53