2-[4-Piperazin-1-ylphenoxy]-ethanol
Basic information
- CAS
1156818-22-2- Standard SMILES
OCCOc1ccc(N2CCNCC2)cc1- InChIKey
CPOICVAPALTGRB-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.13682782
Names & identifiers
- Preferred name
- 2-[4-Piperazin-1-ylphenoxy]-ethanol
- IUPAC
- 2-(4-piperazin-1-ylphenoxy)ethanol
- English name
- 2-[4-Piperazin-1-ylphenoxy]-ethanol
- Molecular formula
- C12H18N2O2
- Molecular weight
- 222.28
Names & synonyms
1156818-22-22-[4-PIPERAZIN-1-YLPHENOXY]-ETHANOL2-[4-(1-Piperazinyl)phenoxy]ethanol2-(4-(Piperazin-1-yl)phenoxy)ethan-1-olMFCD121873282-(4-piperazin-1-ylphenoxy)ethanol2-[4-(Piperazin-1-yl)phenoxy]ethan-1-olSCHEMBL14922266SY272612DB-133526E79483Ethanol, 2-[4-(1-piperazinyl)phenoxy]-
Database identifiers
- CAS
1156818-22-2- PubChem CID
- 21363864
- EC Number
- 181-534-2
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 418.1 · 418.1±35.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.10(Predicted)
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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