1-(1-Piperidinylcarbonyl)piperazine

HCID 1095015

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基本情報

CAS: 41340-88-9
標準SMILES: O=C(N1CCCCC1)N1CCNCC1
InChIKey: KYEVTVIFIFPALW-UHFFFAOYSA-N
分子式: C10H19N3O
平均分子量: 197.28 g/mol
単同位体質量: 197.15281223

名称と識別子

優先名称: 1-(1-Piperidinylcarbonyl)piperazine
IUPAC: piperazin-1-yl(piperidin-1-yl)methanone
英語名: Piperazin-1-yl-piperidin-1-yl-methanone
分子式: C10H19N3O
分子量: 197.28

名称と別名

1-(1-piperidinylcarbonyl)piperazineRefChem:419969664-211-541340-88-9Piperazin-1-yl-piperidin-1-yl-methanonepiperazin-1-yl(piperidin-1-yl)methanone1-(piperidin-1-ylcarbonyl)piperazine1-(piperidine-1-carbonyl)piperazineMFCD03844723piperazinyl piperidyl ketoneSCHEMBL3031399SCHEMBL3175235

名称をさらに表示

AKOS BBS-00005891Piperazin-1-yl-piperidin-1-yl-methaMethanone, 1-piperazinyl-1-piperidinyl-1-piperazinyl(1-piperidinyl)methanone hydrochloride

1-(piperidinocarbonyl)piperazineDTXSID00360257KYEVTVIFIFPALW-UHFFFAOYSA-NSBB042062piperazin-1-yl(1-piperidyl)methanonepiperazin-1-ylpiperidin-1-ylmethanoneAKOS000263531BS-12092

データベース識別子

CAS: 41340-88-9
PubChem CID: 1095015
DTXSID: DTXSID00360257
EC Number: 664-211-5

物性

構造計算による物性

XLogP: -0.1
極性表面積: 35.6 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: 0
重原子数: 14
形式電荷: 0
複雑度: 196

物理化学的性質

融点: 80 · 80-82°C
沸点: 314.4 · 314.4±35.0 °C(Predicted)
比重(密度): 1.106 · 1.106±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.77 · 8.77±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.