1-[2-(4-Fluorophenoxy)ethyl]piperazine

HCID 895027

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Basic information

CAS: 77602-92-7
Standard SMILES: Fc1ccc(OCCN2CCNCC2)cc1
InChIKey: IHVXZESETSWDAC-UHFFFAOYSA-N
Molecular formula: C12H17FN2O
Average molar mass: 224.27 g/mol
Monoisotopic mass: 224.13249138

Names & identifiers

Preferred name: 1-[2-(4-Fluorophenoxy)ethyl]piperazine
IUPAC: 1-[2-(4-fluorophenoxy)ethyl]piperazine
English name: 1-[2-(4-Fluorophenoxy)ethyl]piperazine
Molecular formula: C12H17FN2O
Molecular weight: 224.27

Names & synonyms

1-[2-(4-fluorophenoxy)ethyl]piperazine77602-92-71-(2-(4-Fluorophenoxy)ethyl)piperazineMFCD04211513SCHEMBL1730763DTXSID20358439IHVXZESETSWDAC-UHFFFAOYSA-NBBL030256STL146850AKOS0003029921-fluoro-4-(2-piperazinylethoxy)benzene1-[2-(4-fluorophenoxy) ethyl]piperazine

Show more names

AKOS BC-2671Piperazine, 1-[2-(4-fluorophenoxy)ethyl1-[2-(4-Fluorophenoxy)ethyl]piperazine 2HCl1-[2-(4-Fluorophenoxy)ethyl]piperazinedihydrochloride

DB-345595CS-0116574ST50287322VU0047081-1G80325F606982

Database identifiers

CAS: 77602-92-7
PubChem CID: 895027
DTXSID: DTXSID20358439
Nikkaji: J1.787.506J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 24.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 189

Physicochemical properties

Boiling point: 125 °C · 125 °C(Press: 1.3 Torr)
Density: 1.1 · 1.100±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 9.26 · 9.26±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590

Safety & regulation

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501