Grundinformationen
- CAS
42270-37-1- Standard-SMILES
c1csc(N2CCNCC2)n1- InChIKey
WQFWIVTXNKRNJZ-UHFFFAOYSA-N- Summenformel
- C7H11N3S
- Durchschnittliche Molmasse
- 169,25 g/mol
- Monoisotopische Masse
- 169,06736835
Namen und Bezeichner
- Bevorzugter Name
- 1-(Thiazol-2-yl)piperazine
- IUPAC
- 2-piperazin-1-yl-1,3-thiazole
- Lokaler Name
- 1-(Thiazol-2-yl)piperazin
- Englischer Name
- 1-(2-Thiazolyl)piperazine
- Summenformel
- C7H11N3S
- Molmasse
- 169.25
Namen und Synonyme
42270-37-11-(2-thiazolyl)piperazine1-(Thiazol-2-yl)piperazineEINECS 255-743-5DTXSID40195101RefChem:428738DTXCID10117592255-743-52-(Piperazin-1-yl)thiazole1-Thiazol-2-yl-piperazine1-(1,3-thiazol-2-yl)piperazine2-piperazin-1-yl-1,3-thiazole
Weitere Namen anzeigen
2-(1-Piperazinyl)thiazole1-THIAZOL-2-YL-PIPERAZINE >98%2-(Piperazin-1-yl)-1,3-thiazolePiperazine, 1-(2-thiazolyl)- (9CI)
1-Thiazole-2-yl-piperazineMFCD00778419SCHEMBL50881-thiazole-2-yl-piperizine1-(2-thiazolyl)-piperazineSTL5632251-thiazol-2-yl-piperazine, AldrichCPRpiperazine, 1-(2-thiazolyl)-
Datenbank-Bezeichner
- CAS
42270-37-1- PubChem CID
- 911806
- DTXSID
DTXSID40195101- UNII
- JNH3UA8XDC
- EC Number
- 255-743-5
- Nikkaji
- J278.373H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 56,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 125
Experimentelle und physikochemische Eigenschaften
LogP0.61
Physikochemische Eigenschaften
- Siedepunkt
- 96 °C · 96 °C
- Dichte
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- clear liquid
- pka
- 8.4 · 8.40±0.10(Predicted)
- Farbe
- Colorless to Light yellow to Light orange
- InChI
- 1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2
- InChIKey
- WQFWIVTXNKRNJZ-UHFFFAOYSA-N
- SMILES
- C1CN(CCN1)c2nccs2
- CAS Datenbank
- 42270 · 42270-37-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Anwendungen
Verwenden1-Thiazol-2-yl-piperazine is used to study anti-HIV 6-Desfluoroquinolones.
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