Methyl 1-methyl-1H-indole-3-carboxylate

HCID 842006CAS 108438-43-3

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Grundinformationen

Standard-SMILES: COC(=O)c1cn(C)c2ccccc12
InChIKey: RAIZQIUZLCMHAK-UHFFFAOYSA-N
Summenformel: C11H11NO2
Durchschnittliche Molmasse: 189,21 g/mol
Monoisotopische Masse: 189,07897859

Überblick

methyl 1-methylindole-3-carboxylate has been reported in Arabidopsis thaliana with data available.

Namen und Bezeichner

Bevorzugter Name: Methyl 1-methyl-1H-indole-3-carboxylate
IUPAC: methyl 1-methylindole-3-carboxylate
Englischer Name: 1-methylindole-3-carboxylic acid methyl ester
Summenformel: C11H11NO2
Molmasse: 189.21

Namen und Synonyme

methyl 1-methyl-1H-indole-3-carboxylate108438-43-3DTXSID40357065RefChem:157150DTXCID50308124methyl 1-methylindole-3-carboxylateMFCD000855701-methylindole-3-carboxylic acid methyl esterCHEMBL48774561H-Indole-3-carboxylic acid, 1-methyl-, methyl esterSCHEMBL1092934SCHEMBL31621504

Weitere Namen anzeigen

Methyl-N-Methylindole-3-Carboxylate1-methylindole-3-carboxylic acid methyl este1-Methyl-1H-indole-3-carboxylic acid methyl ester

RAIZQIUZLCMHAK-UHFFFAOYSA-NIEA43843methyl 1-methyl-3-indolecarboxylateBDBM50577600SBB020306STK317501AKOS000308008BS-4031

Datenbank-Bezeichner

CAS: 108438-43-3
PubChem CID: 842006
DTXSID: DTXSID40357065
ChEMBL: CHEMBL4877456
EC Number: 631-235-2
Nikkaji: J2.453.496K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 31,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 229

Physikochemische Eigenschaften

Schmelzpunkt: 87.6 · 87.6-88.7 °C
Siedepunkt: 320.2 · 320.2±15.0 °C(Predicted)
Dichte: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.