1,3-Dimethylindol

1,3-Dimethylindole

HCID 70130CAS 875-30-9

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Grundinformationen

Standard-SMILES: Cc1cn(C)c2ccccc12
InChIKey: NAPPMSNSLWACIV-UHFFFAOYSA-N
Summenformel: C10H11N
Durchschnittliche Molmasse: 145,2 g/mol
Monoisotopische Masse: 145,08914936

Namen und Bezeichner

Bevorzugter Name: 1,3-Dimethylindole
IUPAC: 1,3-dimethylindole
Lokaler Name: 1,3-Dimethylindol
Englischer Name: 1,3-dimethylindole
Summenformel: C10H11N
Molmasse: 145.2

Namen und Synonyme

1,3-Dimethylindole875-30-9Indole, 1,3-dimethyl-1H-Indole, 1,3-dimethyl-UNII-NT347J42P8NT347J42P8NSC 6231NSC-6231EINECS 212-872-1DTXSID80236360RefChem:72738Indole, 1,3-dimethyl-(8CI)

Weitere Namen anzeigen

Ramosetron Impurity 28

DTXCID801588511H-Indole, 1,3-dimethyl-(9CI)212-872-1NAPPMSNSLWACIV-UHFFFAOYSA-N1,3-Dimethyl-1H-indoleMFCD00030239N-Methylscatole1-Methylskatole

Datenbank-Bezeichner

CAS: 875-30-9
PubChem CID: 70130
DTXSID: DTXSID80236360
UNII: NT347J42P8
EC Number: 212-872-1
Nikkaji: J45.618G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 4,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 144

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1383；1359.1

Physikochemische Eigenschaften

Schmelzpunkt: 142 °C · 142°C
Siedepunkt: 258.55 °C · 258.55°C
Dichte: 1.0472 · 1.0472 (rough estimate)
Brechungsindex: 1.5 · 1.5000 (estimate)
storage temp.: Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 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.