1-Acetyl-3,3-dimethyl-1,3-dihydro-indol-2-one

HCID 853607

ノート反応

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基本情報

CAS: 72934-84-0
標準SMILES: CC(=O)N1C(=O)C(C)(C)c2ccccc21
InChIKey: WSBBBRWBBKHEFG-UHFFFAOYSA-N
分子式: C12H13NO2
平均分子量: 203.24 g/mol

名称と識別子

優先名称: 1-Acetyl-3,3-dimethyl-1,3-dihydro-indol-2-one
IUPAC: 1-acetyl-3,3-dimethylindol-2-one

名称と別名

72934-84-01-acetyl-3,3-dimethyl-1,3-dihydro-indol-2-oneRefChem:428981684-786-61-acetyl-3,3-dimethylindolin-2-one1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-one1-acetyl-3,3-dimethylindol-2-oneN-acetyl dimethyl oxindoleSCHEMBL1572546WSBBBRWBBKHEFG-UHFFFAOYSA-NAKOS005145122AI-204/31728054

名称をさらに表示

1-acetyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-one

データベース識別子

CAS: 72934-84-0
PubChem CID: 853607
EC Number: 684-786-6
Nikkaji: J593.863E

物性

構造計算による物性

XLogP: 1.7
極性表面積: 37.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 309

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.