1-フェニルピペリジン-4-オン

1-Phenyl-4-piperidinone

HCID 413009CAS 19125-34-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CCN(c2ccccc2)CC1
InChIKey: VPGLFNOKHAIGEC-UHFFFAOYSA-N
分子式: C11H13NO
平均分子量: 175.23 g/mol
単同位体質量: 175.09971404

名称と識別子

優先名称: 1-Phenyl-4-piperidinone
IUPAC: 1-phenylpiperidin-4-one
現地名: 1-フェニルピペリジン-4-オン
英語名: 1-N-PHENYL-PIPERIDIN-4-ONE
分子式: C11H13NO
分子量: 175.23

名称と別名

1-PHENYL-4-PIPERIDINONERefChem:435650805-098-61-phenylpiperidin-4-one19125-34-9N-Phenylpiperidin-4-one4-Piperidinone, 1-phenyl-MFCD07367770phenyl-4 piperidoneN-Phenyl-4-piperidone1-Phenyl-piperidin-4-one4-Piperidone, 1-phenyl-

名称をさらに表示

1-フェニルピペリジン-4-オン1-Phenyl-4-piperidone4-Piperidinone,1-phenyl-1-N-PHENYL-PIPERIDIN-4-ONE1-phenylpiperidin-4-one(SALTDATA: FREE)

SCHEMBL532107SCHEMBL1810917SCHEMBL27557273DTXSID80328673VPGLFNOKHAIGEC-UHFFFAOYSA-NAKOS000196629AB31242CS-W005481

データベース識別子

CAS: 19125-34-9
PubChem CID: 413009
DTXSID: DTXSID80328673
EC Number: 805-098-6
Nikkaji: J814.521K

物性

構造計算による物性

XLogP: 1.5
極性表面積: 20.3 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: 1
重原子数: 13
形式電荷: 0
複雑度: 175

物理化学的性質

融点: 36.5 · 36.5-37.2℃
貯蔵温度: Sealed in dry,Room Temperature
InChI: InChI=1S/C11H13NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey: VPGLFNOKHAIGEC-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)CCC(=O)CC1

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.