ピペラジン-2-カルボン酸

Piperazine-2-carboxylic acid

HCID 2723758

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2762-32-5
標準SMILES: O=C(O)C1CNCCN1
InChIKey: JSSXHAMIXJGYCS-UHFFFAOYSA-N
分子式: C5H10N2O2
平均分子量: 130.15 g/mol
単同位体質量: 130.07422756

概要

structure in first source

名称と識別子

優先名称: Piperazine-2-carboxylic acid
IUPAC: piperazine-2-carboxylic acid
現地名: ピペラジン-2-カルボン酸
英語名: Piperazine-2-carboxylic acid
分子式: C5H10N2O2
分子量: 130.15

名称と別名

Piperazine-2-carboxylic acid2762-32-5DTXSID70369095RefChem:929323DTXCID803201322-piperazinecarboxylic acidMFCD001328782-carboxypiperazine2-Piperazine carboxylic acidDS-1093STL183342AKOS005068016

名称をさらに表示

DS-1043PRZCA-2HCLTIMTEC-BB SBB0035182-Piperazinecarboxylpiperazine-2-carboxylicaci(±)-2-Piperazinecarboxylic acid(±)-Piperazine-2-carboxylic acid(^+)-Piperazine-2-carboxylic acid

CS-W002409SB11107SB40749PIPERAZINE-2-CARBOXYLICACID(+/-)-Piperazine-2-carboxylic acidSCHEMBL162294orb2945987SCHEMBL1387717

データベース識別子

CAS: 2762-32-5
PubChem CID: 2723758
DTXSID: DTXSID70369095
EC Number: 681-729-7
Nikkaji: J135.636D

物性

構造計算による物性

XLogP: -3.5
極性表面積: 61.4 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 116

物理化学的性質

融点: 265 °C · 265 °C (dec.)(lit.)
沸点: 313.6 · 313.6±37.0 °C(Predicted)
比重(密度): 1.174 · 1.174
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 1.9 · 1.90±0.20(Predicted)
InChI: InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)
InChIKey: JSSXHAMIXJGYCS-UHFFFAOYSA-N
SMILES: N1CCNCC1C(O)=O
CAS データベース: 2762 · 2762-32-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

安全データ

wgk: 3
hs_code: 2933599590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

応用分野 · 1 件

使用Piperazine-2-carboxylic acid is an important organic compound used as a basic structural component of pharmaceutical intermediates. Studies have shown that Piperazine-2-carboxylic acid derivatives are a potential multi-targeted ligands (MTDLs) anti-Alzheimer's disease (AD) active ingredient.