1-Acetyl-4-(2-hydroxyethyl)piperazine

HCID 4739629

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 83502-55-0
Standard SMILES: CC(=O)N1CCN(CCO)CC1
InChIKey: MRGOMLFEVPNISR-UHFFFAOYSA-N
Molecular formula: C8H16N2O2
Average molar mass: 172.22 g/mol

Names & identifiers

Preferred name: 1-Acetyl-4-(2-hydroxyethyl)piperazine
IUPAC: 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
English name: 1-Acetyl-4-(2-hydroxy-ethyl)-piperazine x HCl
Molecular formula: C8H16N2O2
Molecular weight: 172.22

Names & synonyms

1-Acetyl-4-(2-hydroxyethyl)piperazineRefChem:428997632-916-783502-55-01-[4-(2-hydroxyethyl)-1-piperazinyl]Ethanone1-(4-(2-Hydroxyethyl)piperazin-1-yl)ethanone1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoneMFCD025851551-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-ethanone2-(4-ACETYLPIPERAZIN-1-YL)ETHANOL1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one1-Piperazineethanol, 4-acetyl-

Show more names

1-Acetyl-4-(2-hydroxy-ethyl)-piper1-Piperazineethanol,4-acetyl-(9CI)1-Acetyl-4-(2-hydroxy-ethyl)-piperazine x HClEthanone, 1-[4-(2-hydroxyethyl)-1-piperazinyl]-1-(4-(2-hydroxyethyl)piperazin-1-yl)ethanone hydrochloride

1-(4-(2-Hydroxyethyl)-1-piperazinyl)ethanone1-(4-(2-Hydroxyethyl)piperazin-1-yl)ethan-1-one1-acetyl-4-(2-hydroxy-ethyl)piperazine hydrochlorideSCHEMBL297533SCHEMBL3780222-(4-acetylpiperazino)ethanolSCHEMBL3311853MRGOMLFEVPNISR-UHFFFAOYSA-N

Database identifiers

CAS: 83502-55-0
PubChem CID: 4739629
EC Number: 632-916-7
Nikkaji: J2.236.496K

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 338.4 · 338.4±32.0 °C(Predicted)
Density: 1.111 · 1.111±0.06 g/cm3(Predicted)
pka: 14.96 · 14.96±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.