Pyrazine-2-Carboxylic Acid Hydrazide

HCID 258796CAS 768-05-8

部分構造検索類似構造を探す

基本情報

標準SMILES: NNC(=O)c1cnccn1
InChIKey: OHFIJHDYYOCZME-UHFFFAOYSA-N
分子式: C5H6N4O
平均分子量: 138.13 g/mol
単同位体質量: 138.05416081

概要

structure in first source

名称と識別子

優先名称: Pyrazine-2-Carboxylic Acid Hydrazide
IUPAC: pyrazine-2-carbohydrazide
英語名: Pyrazinoic acid hydrazide
分子式: C5H6N4O
分子量: 138.13

名称と別名

Pyrazine-2-carboxylic acid hydrazideRefChem:870461pyrazine-2-carbohydrazide768-05-8Pyrazinoic acid hydrazidePyrazinoic acid, hydrazideMFCD00778762PYRAZINECARBOXYLIC ACID, HYDRAZIDEM 792pyrazine-2-hydrazidePyrazinylcarbonylhydrazineUNII-V9GFH1A08Z

名称をさらに表示

DS-1594bDS-1594AKOS BBS-00004101pyrazinohydrazidePyrazine-2-carbohydrazidPyrazin-2-carbohydrazidePyrazine-2-carboxylic hydrazide

PYRAZINECARBOHYDRAZIDEV9GFH1A08ZDTXSID90227608Pyrazine-2-CarboxylicacidhydrazidePyrazine Carboxylic Acid HydrazideNSC88100NSC-88100AKOS000268734

データベース識別子

CAS: 768-05-8
PubChem CID: 258796
DTXSID: DTXSID90227608
ChEMBL: CHEMBL125613
UNII: V9GFH1A08Z
EC Number: 872-028-9
Nikkaji: J3.087.337H

物性

構造計算による物性

XLogP: -0.9
極性表面積: 80.9 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: 10
形式電荷: 0
複雑度: 127

物理化学的性質

融点: 169 °C · 169 °C
比重(密度): 1.335 · 1.335±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 10.07 · 10.07±0.10(Predicted)
CAS データベース: 768 · 768-05-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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.