CAS 56227-56-6 2-(4-Benzoylpiperazin-1-yl)ethan-1-ol (HCID 3261601)

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Basic information

CAS: 56227-56-6
Standard SMILES: O=C(c1ccccc1)N1CCN(CCO)CC1
InChIKey: DBMBIBSNWGXLHE-UHFFFAOYSA-N
Molecular formula: C13H18N2O2
Average molar mass: 234.29 g/mol
Monoisotopic mass: 234.13682782

Names & identifiers

Preferred name: 2-(4-Benzoylpiperazin-1-yl)ethan-1-ol
IUPAC: [4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone
English name: 2-(4-Benzoyl-1-piperazinyl)ethanol
Molecular formula: C13H18N2O2
Molecular weight: 234.29

Names & synonyms

2-(4-benzoylpiperazin-1-yl)ethan-1-olRefChem:456737964-977-356227-56-62-(4-benzoyl-1-piperazinyl)ethanol(4-(2-Hydroxyethyl)piperazin-1-yl)(phenyl)methanone[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone[4-(2-hydroxyethyl)piperazin-1-yl](phenyl)methanone4-(2-hydroxyethyl)piperazinyl phenyl ketoneOprea1_856334[4-(2-hydroxyethyl)piperazin-1-yl]-phenyl-methanoneSCHEMBL1192814

Show more names

Methanone, [4-(2-hydroxyethyl)-1-piperazinyl]phenyl-

SCHEMBL2156044DTXSID30390769DBMBIBSNWGXLHE-UHFFFAOYSA-NGCA22756MFCD02973574SBB080756STL290413AKOS003587950

Database identifiers

CAS: 56227-56-6
PubChem CID: 3261601
DTXSID: DTXSID30390769
EC Number: 964-977-3

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 244

Physicochemical properties

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

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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.