Methyl N-methylindole-6-carboxylate

HCID 639843CAS 1204-32-6

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc2ccn(C)c2c1
InChIKey: NMILWYUYIFMKTE-UHFFFAOYSA-N
Summenformel: C11H11NO2
Durchschnittliche Molmasse: 189,21 g/mol
Monoisotopische Masse: 189,07897859

Namen und Bezeichner

Bevorzugter Name: Methyl N-methylindole-6-carboxylate
IUPAC: methyl 1-methylindole-6-carboxylate
Englischer Name: AKOS B006681
Summenformel: C11H11NO2
Molmasse: 189.21

Namen und Synonyme

Methyl N-methylindole-6-carboxylateRefChem:817978674-319-41204-32-6methyl 1-methylindole-6-carboxylatemethyl 1-methyl-1H-indole-6-carboxylateN-Methylindole-6-carboxylic acid methyl esterMFCD062455151H-indole-6-carboxylic acid, 1-methyl-, methyl ester1-methyl-1H-indole-6-carboxylic acid methyl esterMethyl1-Methylindole-6-carboxylateSCHEMBL232145

Weitere Namen anzeigen

6-(Methoxycarbonyl)-1-methyl-1H-indoleN-Methylindole-3-carboxylicacidmethylester1-methyl-1H-Indole-6-carboxylic acid methyl ester (9CI ACI)

RARECHEM AL BF 0557SCHEMBL306232336-methoxycarbonyl-1-methylindoleDTXSID20348673AKOS B006681ART-CHEM-BB B006681methyl 1-methyl-6-indolecarboxylateSBB090954

Datenbank-Bezeichner

CAS: 1204-32-6
PubChem CID: 639843
DTXSID: DTXSID20348673
EC Number: 674-319-4
Nikkaji: J2.195.542F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
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: 90 · 90~93℃
Siedepunkt: 320.2 · 320.2±15.0 °C(Predicted)
Dichte: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.