1-Methylindol

1-Methylindole

HCID 11781CAS 603-76-9

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Grundinformationen

Standard-SMILES: Cn1ccc2ccccc21
InChIKey: BLRHMMGNCXNXJL-UHFFFAOYSA-N
Summenformel: C9H9N
Durchschnittliche Molmasse: 131,17 g/mol
Monoisotopische Masse: 131,07349929

Namen und Bezeichner

Bevorzugter Name: 1-Methylindole
IUPAC: 1-methylindole
Lokaler Name: 1-Methylindol
Englischer Name: 1-Methylindole
Summenformel: C9H9N
Molmasse: 131.17

Namen und Synonyme

1-METHYLINDOLE1-Methyl-1H-indole603-76-9N-Methylindole1H-Indole, 1-methyl-Indole, 1-methyl-8H698ROJ5FDTXSID3060534NSC-212534RefChem:76397DTXCID5042792210-057-5

Weitere Namen anzeigen

N-Methyindole1-METHYLINDOLE (N-)1-methyl-1h-indolCgHgNNSC 2125341-METHYLINDOLL-Methylindole

methylindole1-Methyl-1H-indole-2-D1-Methyl-1H-indole-4-D1-Methyl-1H-indole-5-D1-Methyl-1H-indole-6-D1-Methyl-1H-indole-7-DN-methyl indoleMFCD00005800

Datenbank-Bezeichner

CAS: 603-76-9
PubChem CID: 11781
DTXSID: DTXSID3060534
ChEMBL: CHEMBL19912
UNII: 8H698ROJ5F
EC Number: 210-057-5
Nikkaji: J45.593H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 4,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Schmelzpunkt: 61.2 °C · 61.2°C (estimate)
Siedepunkt: 133 °C26 · 133 °C26 mm Hg(lit.)
Dichte: 1.051 g/mL · 1.051 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.606(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Soluble), DMSO (Slightly)
Aggregatzustand: Liquid, May Develop Some Turbidity or Precipitate
Farbe: Colorless to white
Wasserlöslichkeit: insoluble
BRN: 111026 · 111026
Henry's Law Constant: 8.7 · 8.7×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Stabilität: Light sensitive. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey: BLRHMMGNCXNXJL-UHFFFAOYSA-N
SMILES: Cn1ccc2ccccc12
LogP: 2.72 · 2.720
CAS Datenbank: 603 · 603-76-9(CAS DataBase Reference)
NIST chemische Informationen: 1 H-Indole, · 1H-Indole, 1-methyl-(603-76-9)
EPA chemische Informationen: 1 H-Indole, · 1H-Indole, 1-methyl- (603-76-9)

Sicherheit und Regulatorisches

Sicherheitsdaten

F: 13
wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29339990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Methylindole is useful for the determination of association constant for the electron-donor-acceptor complexes with 1-(2,4,6-trinitrophenyl) propan-2-one. It acts as a reactant for the preparation of polycyclic derivatives of indoles, bisindole derivatives and pharmaceutically active 2-oxo-1-pyrrolidine analogues. It is also used as a reactant for the preparation of Positron Emission Tomography (PET) imaging agents of protein kinase C (PKC) and glycogen synthase kinase-3 (GSK-3).