p-(1-Piperazinyl)phenol
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Basic information
- CAS
56621-48-8- Standard SMILES
Oc1ccc(N2CCNCC2)cc1- InChIKey
GPEOAEVZTOQXLG-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- p-(1-Piperazinyl)phenol
- IUPAC
- 4-piperazin-1-ylphenol
- English name
- 1-(4-Hydroxyphenyl)piperazine
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
1-(4-Hydroxyphenyl)piperazine56621-48-8p-(1-Piperazinyl)phenolEINECS 260-289-6DTXSID80205197RefChem:857911DTXCID80127688260-289-64-(piperazin-1-yl)phenol4-(1-Piperazinyl)phenol4-piperazin-1-ylphenolN-(4-hydroxyphenyl)piperazine
Show more names
RARECHEM AH CK 0119SALOR-INT L497754-1EALABOTEST-BB LT002331984-PIPERAZIN-1-YL-PHENOLKetoconazole Impurity 324-(1-Piperazino)phenol,98%
4-PiperazinophenolMFCD00066156Phenol, 4-(1-piperazinyl)-1-(4-Hydroxyphenyl)-piperazine4-piperazinylphenolEN300-172304-(1-piperazino)phenol4-Piperazinyl phenol
Database identifiers
- CAS
56621-48-8- PubChem CID
- 92467
- DTXSID
DTXSID80205197- UNII
- A2SA24RA7S
- EC Number
- 260-289-6
- Nikkaji
- J267.059C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 220 °C · 220 °C
- Boiling point
- 371.3 · 371.3±27.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Powder
- pka
- 12.18 · 12.18±0.30(Predicted)
- color
- Brownish
- BRN
- 150964 · 150964
- InChI
- InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
- InChIKey
- GPEOAEVZTOQXLG-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(N2CCNCC2)C=C1
- LogP
- 0.374 · 0.374
- CAS DataBase Reference
- 56621 · 56621-48-8(CAS DataBase Reference)
- FDA UNII
- 2 SA24RA7S · A2SA24RA7S
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.
Danger
H314 (10.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 15-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21519
Hazard Classes and CategoriesSkin Corr. 1B (10.4%)
Safety data
- F
- 10-34
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN3263
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS05,GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-(4-hydroxyphenyl)piperazine is a known human metabolite of 1-(4-methoxyphenyl)piperazine.
Applications
Uses1-(4-Hydroxyphenyl)piperazine can be used as an intermediate for ketoconazole.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
93 records
Compound notes
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