Pyrazine-2-Carboxylic Acid Hydrazide

HCID 258796CAS 768-05-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NNC(=O)c1cnccn1
InChIKey: OHFIJHDYYOCZME-UHFFFAOYSA-N
분자식: C5H6N4O
평균 분자량: 138.13 g/mol
단동위원소 질량: 138.05416081

개요

structure in first source

이름 및 식별자

우선 이름: Pyrazine-2-Carboxylic Acid Hydrazide
IUPAC: pyrazine-2-carbohydrazide
영어명: Pyrazinoic acid hydrazide
분자식: C5H6N4O
분자량: 138.13

이름 및 동의어

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

이름 더 보기

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

PYRAZINECARBOHYDRAZIDEV9GFH1A08ZDTXSID90227608Pyrazine-2-CarboxylicacidhydrazidePyrazine Carboxylic Acid HydrazideNSC88100NSC-88100AKOS000268734

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 80.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 169 °C · 169 °C
밀도: 1.335 · 1.335±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 10.07 · 10.07±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.