1-(1-Methyl-1H-indol-3-yl)ethanone

HCID 594156

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Grundinformationen

CAS: 19012-02-3
Standard-SMILES: CC(=O)c1cn(C)c2ccccc12
InChIKey: HYLFRICFKVJJOZ-UHFFFAOYSA-N
Summenformel: C11H11NO
Durchschnittliche Molmasse: 173,21 g/mol
Monoisotopische Masse: 173,08406397

Namen und Bezeichner

Bevorzugter Name: 1-(1-Methyl-1H-indol-3-yl)ethanone
IUPAC: 1-(1-methylindol-3-yl)ethanone
Englischer Name: 1-(1-METHYL-1H-INDOL-3-YL)-1-ETHANONE
Summenformel: C11H11NO
Molmasse: 173.21

Namen und Synonyme

19012-02-31-(1-Methyl-1H-indol-3-yl)ethanone1-(1-methyl-1H-indol-3-yl)ethan-1-oneDTXSID80344055RefChem:419808DTXCID00295131886-564-63-acetyl-1-methylindole1-(1-methylindol-3-yl)ethanone1-(1-Methyl-1H-indol-3-yl)-1-ethanoneEthanone, 1-(1-methyl-1H-indol-3-yl)-3-Acetyl-1-methyl-1H-indole

Weitere Namen anzeigen

N-Methyl-3-acetylindole1-(1-methyl-3-indolyl)ethanone1-(1-Methyl-1H-indole-3-yl)-1-ethanoneBenzenesulfonicacid,6-(acetylamino)-,hydrazide

MFCD005402321-Methyl-3-acetylindole1-(1-methyl-1H-indol-3-yl)-ethanoneSCHEMBL1887873SCHEMBL3482769SCHEMBL3482775CHEMBL4068840SCHEMBL29848366

Datenbank-Bezeichner

CAS: 19012-02-3
PubChem CID: 594156
DTXSID: DTXSID80344055
ChEMBL: CHEMBL4068840
EC Number: 886-564-6
Nikkaji: J46.123G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 22 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 214

Physikochemische Eigenschaften

Schmelzpunkt: 108 · 108-109℃
Siedepunkt: 130 · 130-140 °C(Press: 0.01 Torr)
Dichte: 1.09 · 1.09
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
InChI: 1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKey: HYLFRICFKVJJOZ-UHFFFAOYSA-N
SMILES: CC(=O)c1cn(C)c2ccccc12

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (50%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933998090
risk_code: 36
safety_code: 26
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2