CAS 1019507-58-4 4-(6-Aminopyridin-3-yl)piperazin-2-one (HCID 28411511)

基本情報

CAS: 1019507-58-4
標準SMILES: Nc1ccc(N2CCNC(=O)C2)cn1
InChIKey: LOPKOFPQJWLVOK-UHFFFAOYSA-N
分子式: C9H12N4O
平均分子量: 192.22 g/mol
単同位体質量: 192.10111102

名称と識別子

優先名称: 4-(6-Aminopyridin-3-yl)piperazin-2-one
IUPAC: 4-(6-amino-3-pyridinyl)piperazin-2-one
英語名: 2-Piperazinone, 4-(6-amino-3-pyridinyl)-
分子式: C9H12N4O
分子量: 192.22

名称と別名

4-(6-aminopyridin-3-yl)piperazin-2-one1019507-58-4RefChem:514844874-258-5SCHEMBL1991950CHEMBL4562399SCHEMBL29660579LOPKOFPQJWLVOK-UHFFFAOYSA-NUQB50758AKOS000222137AT19590DB-099509

名称をさらに表示

4-(6-Amino-3-pyridinyl)-2-piperazinone2-Piperazinone, 4-(6-amino-3-pyridinyl)-

4-(6-amino-pyridin-3-yl)-piperazin-2-oneEN300-175650

データベース識別子

CAS: 1019507-58-4
PubChem CID: 28411511
ChEMBL: CHEMBL4562399
EC Number: 874-258-5

物性

構造計算による物性

XLogP: -0.3
極性表面積: 71.3 Å²
水素結合供与体数: 2
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: 221

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.