5-시아노-6-하이드록시-4-메톡시메틸-2-메틸피리딘

2-Methyl-4-methoxymethyl-5-cyano-6-oxypyridine

HCID 94999

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6339-38-4
표준 SMILES: COCc1cc(C)[nH]c(=O)c1C#N
InChIKey: KLNRUMOPNATILS-UHFFFAOYSA-N
분자식: C9H10N2O2
평균 분자량: 178.19 g/mol
단동위원소 질량: 178.07422756

개요

structure in first source

이름 및 식별자

우선 이름: 2-Methyl-4-methoxymethyl-5-cyano-6-oxypyridine
IUPAC: 4-(methoxymethyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
현지명: 5-시아노-6-하이드록시-4-메톡시메틸-2-메틸피리딘
영어명: 5-CYANO-6-HYDROXY-4-METHOXYMETHYL-2-METHYLPYRIDINE
분자식: C9H10N2O2
분자량: 178.19

이름 및 동의어

6339-38-42-Methyl-4-methoxymethyl-5-cyano-6-oxypyridineDTXSID70212794RefChem:88135DTXCID001352852-hydroxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-4-(methoxymethyl)-6-methyl-2-oxo-4-(methoxymethyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile2-hydroxy-4-(methoxymethyl)-6-methylnicotinonitrile4-(methoxymethyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile2-Methyl-4-methoxymethyl-5-cyano-6-hydroxypyridine5-CYANO-6-HYDROXY-4-METHOXYMETHYL-2-METHYLPYRIDINE

이름 더 보기

5-시아노-6-하이드록시-4-메톡시메틸-2-메틸피리딘1,2-Dihydro-4-methoxymethyl-6-methyl-2-oxopyridine-3-carbonitrile2-Oxo-4-(methoxymethyl)-6-methyl-1,2-dihydro-3-pyridinecarbonitrile

Nicotinonitrile, 2-hydroxy-4-(methoxymethyl)-6-methyl-4-(Methoxymethyl)-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrilePyridine-3-carbonitrile, 1,2-dihydro-4-(methoxymethyl)-6-methyl-2-oxo-ChemDiv3_0150194-(methoxymethyl)-6-methyl-2-oxohydropyridine-3-carbonitrileNSC 131323-Pyridinecarbonitrile,1,2-dihydro-4-(methoxymethyl)-6-methyl-2-oxo-MLS000104709

데이터베이스 식별자

CAS: 6339-38-4
PubChem CID: 94999
DTXSID: DTXSID70212794
ChEMBL: CHEMBL1566553
EC Number: 651-218-3
Nikkaji: J39.103D

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 62.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 344

물리화학적 성질

녹는점: 226 °C · 226 °C
끓는 점: 354.1 · 354.1±42.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
산도 계수 (pKa): 8.68 · 8.68±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.