p-Aminophenol hydrochlorideProduct ingredient for p-Aminophenol

Name
p-Aminophenol hydrochloride
Drug Entry
p-Aminophenol
Accession Number
DBSALT002745
Structure
Synonyms
4-Aminophenol HCl / 4-Aminophenol hydrochloride / p-Aminophenol HCl
UNII
IWL2N22RFY
CAS Number
51-78-5
Weight
Average: 145.59
Monoisotopic: 145.0294416
Chemical Formula
C6H8ClNO
InChI Key
RVGOBWDGAVAVPJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H
IUPAC Name
4-aminophenol hydrochloride
SMILES
Cl.NC1=CC=C(O)C=C1
ChemSpider
5623
ChEMBL
CHEMBL388353
Predicted Properties
PropertyValueSource
Water Solubility121.0 mg/mLALOGPS
logP0.47ALOGPS
logP0.84Chemaxon
logS0.04ALOGPS
pKa (Strongest Acidic)10.4Chemaxon
pKa (Strongest Basic)5.43Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area46.25 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity32.74 m3·mol-1Chemaxon
Polarizability11.23 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon