3-히드록시피콜린아미드

3-Hydroxypicolinamide

HCID 70277CAS 933-90-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)c1ncccc1O
InChIKey: VIHUZJYFQOEUMI-UHFFFAOYSA-N
분자식: C6H6N2O2
평균 분자량: 138.12 g/mol
단동위원소 질량: 138.04292744

이름 및 식별자

우선 이름: 3-Hydroxypicolinamide
IUPAC: 3-hydroxypyridine-2-carboxamide
현지명: 3-히드록시피콜린아미드
영어명: 3-Hydroxypicolinamide
분자식: C6H6N2O2
분자량: 138.12

이름 및 동의어

3-Hydroxypicolinamide933-90-43-Hydroxy-2-pyridinecarboxamideVK3YNW4R82DTXSID00239378RefChem:502351DTXCID20161869213-274-33-Hydroxypyridine-2-carboxamide3-Hydroxy-pyridine-2-carboxylic acid amideMFCD000063022-Pyridinecarboxamide, 3-hydroxy-

이름 더 보기

3-히드록시피콜린아미드Hydroxypicolinamide3-Hydroxypicolineamide3-Hydroxypicolinamide>3-HYDROXYPICOLINAMIDE 98%3-Hydroxypicolinamide,98+%2-Pyridinecarboxamide,3-hydroxy-(9CI)

EINECS 213-274-33-hydroxy picolinic amideUNII-VK3YNW4R823-Hydroxypicolinamide, 98%SCHEMBL324348SCHEMBL324349SCHEMBL9819698SCHEMBL10002474

데이터베이스 식별자

CAS: 933-90-4
PubChem CID: 70277
DTXSID: DTXSID00239378
ChEBI: CHEBI:169984
UNII: VK3YNW4R82
EC Number: 213-274-3
Nikkaji: J298.520I

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 76.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 193 · 193-197 °C (lit.)
끓는 점: 479.3 · 479.3±30.0 °C(Predicted)
밀도: 1.384 · 1.384±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 15.26 · 15.26±0.50(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C6H6N2O2/c7-6(10)5-4(9)2-1-3-8-5/h1-3,9H,(H2,7,10)
InChIKey: VIHUZJYFQOEUMI-UHFFFAOYSA-N
SMILES: NC(=O)c1ncccc1O

화학적 성질

grey-beige to light brown powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.