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

HCID 2761152

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基本情報

CAS: 16223-25-9
標準SMILES: O=C1Cc2ccccc2N1C1CCNCC1
InChIKey: JQYYDAPQCHWQCC-UHFFFAOYSA-N
分子式: C13H16N2O
平均分子量: 216.28 g/mol
単同位体質量: 216.12626314

名称と識別子

優先名称: 1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one
IUPAC: 1-piperidin-4-yl-3H-indol-2-one
英語名: 1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one
分子式: C13H16N2O
分子量: 216.28

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.1
極性表面積: 32.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 273

物理化学的性質

融点: 171 · 171~174℃
沸点: 88 · 88-90/2.25mm
比重(密度): 1.186 · 1.186±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.89 · 9.89±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.