CAS 84951-44-0 2-(Piperazin-1-yl)pyridine-3-carbonitrile (HCID 2737203)

基本情報

CAS: 84951-44-0
標準SMILES: N#Cc1cccnc1N1CCNCC1
InChIKey: QSMNQUURWIAXAA-UHFFFAOYSA-N
分子式: C10H12N4
平均分子量: 188.23 g/mol
単同位体質量: 188.10619638

名称と識別子

優先名称: 2-(Piperazin-1-yl)pyridine-3-carbonitrile
IUPAC: 2-piperazin-1-ylpyridine-3-carbonitrile
現地名: 2-(1-ピペラジニル)-3-ピリジンカルボニトリル
英語名: 2-Piperazinonicotinonitrile
分子式: C10H12N4
分子量: 188.23

名称と別名

84951-44-02-(Piperazin-1-Yl)Pyridine-3-CarbonitrileDTXSID201005241RefChem:461832DTXCID201432127671-461-92-piperazinonicotinonitrile2-(piperazin-1-yl)nicotinonitrile2-Piperazin-1-ylnicotinonitrile151021-42-02-piperazin-1-ylpyridine-3-carbonitrile1-(3-cyano-2-pyridinyl)piperazine

名称をさらに表示

2-(1-ピペラジニル)-3-ピリジンカルボニトリルBUTTPARK 99\12-41TIMTEC-BB SBB005548RARECHEM AH CK 01761-[2-(3-CYANOPYRIDYL)]PIPERAZINE3-Cyano-2-piperazin-1-ylpyridine1-(2-(3-Cyanopyridil))-piperazine1-(3-Cyano-pyridin-2-yl)piperazine2-(Piperazin-1-yl)-3-pyridinecarbo

MFCD001902482-Piperazin-1-yl-nicotinonitrile2-(1-Piperazinyl)-3-pyridinecarbonitrile2-(1-piperazinyl)nicotinonitrile2-(Piperazin-1-yl)-3-pyridinecarbonitrileCHEMBL481371-(2-(3-cyanopyridyl))piperazine1-(2-(3-cyanopyridyl))-piperazine

データベース識別子

CAS: 84951-44-0
PubChem CID: 2737203
DTXSID: DTXSID201005241
ChEMBL: CHEMBL48137
EC Number: 671-461-9

物性

構造計算による物性

XLogP: 0.4
極性表面積: 52 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 226

物理化学的性質

融点: 102 · 102-104°C
沸点: 388 · 388.0±37.0 °C(Predicted)
比重(密度): 1.22 · 1.22±0.1 g/cm3(Predicted)
酸解離定数(Pka): 8.34 · 8.34±0.10(Predicted)
CAS データベース: 84951 · 84951-44-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.