1,5-Diacetylindoline
Grundinformationen
- CAS
16078-35-6- Standard-SMILES
CC(=O)c1ccc2c(c1)CCN2C(C)=O- InChIKey
DDTZNSOMVMYKHA-UHFFFAOYSA-N- Summenformel
- C12H13NO2
- Durchschnittliche Molmasse
- 203,24 g/mol
- Monoisotopische Masse
- 203,09462866
Namen und Bezeichner
- Bevorzugter Name
- 1,5-Diacetylindoline
- IUPAC
- 1-(1-acetyl-2,3-dihydroindol-5-yl)ethanone
- Englischer Name
- 1 5-Diacetylindoline 97
- Summenformel
- C12H13NO2
- Molmasse
- 203.24
Namen und Synonyme
1,5-Diacetylindoline16078-35-6DTXSID203909951-(1-acetyl-2,3-dihydro-1h-indol-5-yl)ethanoneRefChem:417168DTXCID70341856625-120-61,1'-(Indoline-1,5-diyl)diethanone1-(1-acetyl-2,3-dihydroindol-5-yl)ethanone1,1'-(Indoline-1,5-diyl)bis(ethan-1-one)1 5-DIACETYLINDOLINE 97MFCD00459527
Weitere Namen anzeigen
1 5-Diacetylindoline 971,5-Diacetylindoline 97%Ethanone, 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-
1-(5-acetyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one1,5-Diacetylindoline, 97%SCHEMBL868561SCHEMBL29446551DDTZNSOMVMYKHA-UHFFFAOYSA-N1-(1-acetylindolin-5-yl)ethanoneAKOS015898088SB64237
Datenbank-Bezeichner
- CAS
16078-35-6- PubChem CID
- 3280850
- DTXSID
DTXSID20390995- EC Number
- 625-120-6
- Nikkaji
- J514.758A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 37,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 287
Physikochemische Eigenschaften
- Schmelzpunkt
- 137 · 137-141 °C (lit.)
- Siedepunkt
- 471.6 · 471.6±45.0 °C(Predicted)
- Dichte
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- -1.84 · -1.84±0.20(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C12H13NO2/c1-8(14)10-3-4-12-11(7-10)5-6-13(12)9(2)15/h3-4,7H,5-6H2,1-2H3
- InChIKey
- DDTZNSOMVMYKHA-UHFFFAOYSA-N
- SMILES
- CC(=O)N1CCc2cc(ccc12)C(C)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
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, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenReactant for α-arylation reactionsReactant for preparation of 5-HT1B receptor antagonistsReactant for synthesis of N-(1-benzo[1,3]dioxol-5-yl)ethyl-, N-[1-(2,3-dihydro-benzofuran-5-yl)ethyl-, and N-[1-(2,3-dihydro-1H-indol-5-yl)ethylacrylamides as KCNQ2 opener agentsReactant for preparation of 1-acyl-7-nitroindolines as L-glutamate photoreleasing agents in cerebellar granule neurons
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter9 Anbieter
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
上海今寅生物科技有限公司021-20986266 18019349802 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
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