Grundinformationen
- Standard-SMILES
CC(=O)N1CCN(c2ccc(N)cc2)CC1- InChIKey
AFVUJJNEILZYJQ-UHFFFAOYSA-N- Summenformel
- C12H17N3O
- Durchschnittliche Molmasse
- 219,28 g/mol
- Monoisotopische Masse
- 219,13716216
Überblick
1-[4-(4-aminophenyl)-1-piperazinyl]ethanone is a member of piperazines.
Namen und Bezeichner
- Bevorzugter Name
- 1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
- IUPAC
- 1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
- Englischer Name
- 1-[4-(4-Amino-phenyl)-piperazin-1-yl]-ethanone
- Summenformel
- C12H17N3O
- Molmasse
- 219.28
Namen und Synonyme
92394-00-81-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one1-(4-(4-aminophenyl)piperazin-1-yl)ethan-1-oneDTXSID90352984RefChem:224713DTXCID30304048639-265-81-[4-(4-aminophenyl)piperazin-1-yl]ethanone1-acetyl-4-(4-aminophenyl)piperazine1-(4-(4-aminophenyl)piperazin-1-yl)ethanone4-(4-Acetylpiperazin-1-yl)anilineMFCD01365904
Weitere Namen anzeigen
AKOS BB-8665ASISCHEM Z45856TIMTEC-BB SBB007332ART-CHEM-BB B025630LABOTEST-BB LT00654234
4-(4-Acetyl-1-piperazinyl)aniline1-[4-(4-Amino-phenyl)-piperazin-1-yl]-ethanone1-[4-(4-Aminophenyl)piperazino]ethanone1-[4-(4-aminophenyl)-1-piperazinyl]Ethanone4-(4-Acetyl-piperazin-1-yl)aniline[4-(4-acetylpiperazin-1-yl)phenyl]amineTimTec1_007041Oprea1_693361
Datenbank-Bezeichner
- CAS
92394-00-8- PubChem CID
- 736269
- DTXSID
DTXSID90352984- ChEMBL
CHEMBL1700038- ChEBI
CHEBI:92497- EC Number
- 639-265-8
- Nikkaji
- J476.032H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 49,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 241
Physikochemische Eigenschaften
- Siedepunkt
- 460.7 · 460.7±40.0 °C(Predicted)
- Dichte
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- Aggregatzustand
- crystalline solid
- pka
- 7.69 · 7.69±0.10(Predicted)
- Farbe
- Very dark purple
- CAS Datenbank
- 92394 · 92394-00-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2933599590
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
Chemie und Industrie
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