4-[4-(4-Aminophenyl)piperazin-1-yl]phenol

HCID 10221065CAS 74853-08-0

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1
InChIKey: WZIJMPVPOMTRNM-UHFFFAOYSA-N
Molecular formula: C16H19N3O
Average molar mass: 269.34 g/mol
Monoisotopic mass: 269.15281223

Names & identifiers

Preferred name: 4-[4-(4-Aminophenyl)piperazin-1-yl]phenol
IUPAC: 4-[4-(4-aminophenyl)piperazin-1-yl]phenol
English name: 1-(4-Aminophenyl)-4-(4-hydroxyphenyl)piperazine
Molecular formula: C16H19N3O
Molecular weight: 269.34

Names & synonyms

4-[4-(4-aminophenyl)piperazin-1-yl]phenol4-(4-(4-aminophenyl)piperazin-1-yl)phenol4-[4-(4-aminophenyl)-1-piperazinyl]phenol4-(4-(4-Aminophenyl)-1-piperazinyl)phenolRefChem:513592616-147-41-(4-Aminophenyl)-4-(4-hydroxyphenyl)piperazine74853-08-0MFCD020930824-[4-(4-Aminophenyl)-1-piperazinyl]phendiamineolPosaconazole Impurity 52Phenol, 4-[4-(4-aminophenyl)-1-piperazinyl]-

Show more names

1-(4-AMINOPHENYL)-(4-HYDROXYPHENYL) PIPERAZINEPOS-NO-3POSACONZOLE INTERMEDIATE4-HYDROXYPHENYLAMINOPHENYLPIPERAZINE4-[4-(4-aMinophenyl)piperazino]phenol4-hydroxy-N,1-diphenyl-2-piperazinaminePosaconazole Diastereoisomer 2 (R,S,R,R)4-(4-(4-AMINOPHENYL)-1-PIPERZINYL)PHENOL

Posazonazole Intermediate 1SCHEMBL3055201DTXSID004369611-(4-Aminophenyl)-4-(4-hydroxyphenyl)- piperazineK9ZQ4U36K9AC-83AKOS015902858AC-8323

Database identifiers

CAS: 74853-08-0
PubChem CID: 10221065
DTXSID: DTXSID00436961
UNII: K9ZQ4U36K9
EC Number: 616-147-4
Nikkaji: J1.147.127G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 52.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 288

Physicochemical properties

Boiling point: 532.8 · 532.8±50.0 °C(Predicted)
Density: 1.237 · 1.237±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Very Slightly, Heated)
form: Solid:crystalline
pka: 12.18 · 12.18±0.30(Predicted)
Appearance: Light brown to brown Solid
InChI: InChI=1S/C16H19N3O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-8,20H,9-12,17H2
InChIKey: WZIJMPVPOMTRNM-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(N2CCN(C3=CC=C(N)C=C3)CC2)C=C1
CAS DataBase Reference: 74853 · 74853-08-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 29-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19805

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
REACH Registrations: Active
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362