Ethyl 2-methyl-3-indoleacetate

HCID 324307
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Grundinformationen

CAS
21909-49-9
Standard-SMILES
CCOC(=O)Cc1c(C)[nH]c2ccccc12
InChIKey
SLEXJGHKKHQSDC-UHFFFAOYSA-N
Summenformel
C13H15NO2
Durchschnittliche Molmasse
217,26 g/mol
Monoisotopische Masse
217,11027872

Namen und Bezeichner

Bevorzugter Name
Ethyl 2-methyl-3-indoleacetate
IUPAC
ethyl 2-(2-methyl-1H-indol-3-yl)acetate
Englischer Name
Ethyl 2-methyl-3-indoleacetate
Summenformel
C13H15NO2
Molmasse
217.26

Namen und Synonyme

Ethyl 2-methyl-3-indoleacetateDTXSID20314853RefChem:594464DTXCID60265976621-912-021909-49-9ethyl 2-(2-methyl-1H-indol-3-yl)acetateMFCD02093647Ethyl 2-Methyl-1H-indole-3-acetate1H-Indole-3-aceticacid, 2-methyl-, ethyl esterEthyl 2-methylindole-3-acetate1H-Indole-3-aceticacid,2-methyl-,ethyl ester
Weitere Namen anzeigen
Ethyl 2-methylindoleacetateEthyl 2-methyl-3-indoleacetate 98%2-(2-methyl-2-indolyl)acetic acid ethyl ester1H-Indole-3-acetic acid, 2-Methyl-, ethyl ester
E75819NSC 289352(2-MethylNSC289352ethyl (2-methyl-1H-indol-3-yl)acetateSCHEMBL1165573SCHEMBL27490601SCHEMBL31487317

Datenbank-Bezeichner

CAS
21909-49-9
PubChem CID
324307
DTXSID
DTXSID20314853
EC Number
621-912-0
Nikkaji
J888.201K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
42,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
16

Physikochemische Eigenschaften

Schmelzpunkt
95 °C · 95 °C(Solv: ethyl ether (60-29-7))
Siedepunkt
195 · 195-196 °C/3.5 mmHg (lit.)
Dichte
1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.571(lit.)
Flammpunkt
230 °F · >230 °F
pka
17.27 · 17.27±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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
10 - Combustible liquids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden• ;Reactant for preparation of hydroxamate derivatives as HDAC inhibitor with anticancer activity1• ;Reactant for stereoselective preparation of AG-041R, as a Potent Gastrin/CCK-B Receptor Antagonist2

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter16 Anbieter

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

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