1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one

HCID 2761152CAS 16223-25-9

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Grundinformationen

Standard-SMILES: O=C1Cc2ccccc2N1C1CCNCC1
InChIKey: JQYYDAPQCHWQCC-UHFFFAOYSA-N
Summenformel: C13H16N2O
Durchschnittliche Molmasse: 216,28 g/mol
Monoisotopische Masse: 216,12626314

Namen und Bezeichner

Bevorzugter Name: 1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one
IUPAC: 1-piperidin-4-yl-3H-indol-2-one
Englischer Name: 1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one
Summenformel: C13H16N2O
Molmasse: 216.28

Namen und Synonyme

16223-25-91-Piperidin-4-yl-1,3-dihydro-2H-indol-2-oneRefChem:435799674-481-61,3-dihydro-1-(piperidin-4-yl)(2h)indol-2-one1-piperidin-4-yl-3H-indol-2-one1-piperidin-4-yl-1,3-dihydro-indol-2-oneMFCD034260851-(4-piperidyl)indolin-2-one1,3-Dihydro-1-(piperidin-4-yl)-2H-indol-2-one2H-Indol-2-one, 1,3-dihydro-1-(4-piperidinyl)-1,3-dihydro-1-(piperidin-4-yl)-(2h)-indol-2-one

Weitere Namen anzeigen

1-(Piperidin-4-yl)-2-oxindole1-(PIPERIDIN-4-YL)-3H-INDOL-2-ONE5-Ethyl-1,2,4-oxadiazole-3-carboxylate1-piperidin-4-yl-1,3-dihydro-1H-indol-2-one1,3-Dihydro-1-(4-piperidinyl)-2H-indol-2-one1-(4-Piperidinyl)-1,3-dihydro-2H-indol-2-one1,2,4-oxadiazole-3-carboxylic acid, ethyl ester

1-(PIPERIDIN-4-YL)-2,3-DIHYDRO-1H-INDOL-2-ONE1-(PIPERIDIN-4-YL)INDOLIN-2-ONEMixCom1_000029Peakdale1_002823SCHEMBL8287301-(4-piperidyl)indol-2-oneSCHEMBL5427154SCHEMBL29809539

Datenbank-Bezeichner

CAS: 16223-25-9、90536-91-7
PubChem CID: 2761152
DTXSID: DTXSID80920333
ChEBI: CHEBI:190950
EC Number: 674-481-6
Nikkaji: J1.586.303J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 273

Physikochemische Eigenschaften

Schmelzpunkt: 171 · 171~174℃
Siedepunkt: 88 · 88-90/2.25mm
Dichte: 1.186 · 1.186±0.06 g/cm3(Predicted)
pka: 9.89 · 9.89±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (93.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (96.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (96.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 30 reports by companies from 3 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.