CAS 1019058-85-5 1-(4-Fluorophenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride (HCID 42933716)

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Basic information

CAS: 1019058-85-5
Standard SMILES: Cl.Cl.O=C(CN1CCNCC1)c1ccc(F)cc1
InChIKey: IWVYXWLVGIXMED-UHFFFAOYSA-N
Molecular formula: C12H17Cl2FN2O
Average molar mass: 295.18 g/mol
Monoisotopic mass: 294.0701967

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride
IUPAC: 1-(4-fluorophenyl)-2-piperazin-1-ylethanone;dihydrochloride
English name: 1-(4-fluorophenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride
Molecular formula: C12H17Cl2FN2O
Molecular weight: 295.1805832

Names & synonyms

1019058-85-51-(4-fluorophenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochlorideRefChem:425518968-645-91-(4-fluorophenyl)-2-piperazin-1-ylethanone dihydrochloride1-(4-fluorophenyl)-2-piperazin-1-ylethanone;dihydrochlorideMFCD09971581C12H17Cl2FN2OSCHEMBL3131951IWVYXWLVGIXMED-UHFFFAOYSA-N1-(4-fluorophenyl)-2-piperazin-1-yl-ethanone;dihydrochlorideAKOS008090320

Show more names

NS-04963CS-0246193EN300-31899G41923Z3619938141-(4-fluorophenyl)-2-(piperazin-1-yl)ethanone dihydrochloride1-(4-fluorophenyl)-2-(piperazin-1-yl)ethan-1-onedihydrochloride

Database identifiers

CAS: 1019058-85-5
PubChem CID: 42933716
EC Number: 968-645-9

Properties

Computed structural properties

Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 233

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.