(2-메틸-퀴놀린-4-YL)-메탄올

(2-Methylquinolin-4-yl)methanol

HCID 10149033CAS 4939-28-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(CO)c2ccccc2n1
InChIKey: MNDWQNXETQDJMZ-UHFFFAOYSA-N
분자식: C11H11NO
평균 분자량: 173.21 g/mol
단동위원소 질량: 173.08406397

이름 및 식별자

우선 이름: (2-Methylquinolin-4-yl)methanol
IUPAC: (2-methylquinolin-4-yl)methanol
현지명: (2-메틸-퀴놀린-4-YL)-메탄올
영어명: (2-Methyl-quinolin-4-yl)-methanol
분자식: C11H11NO
분자량: 173.21

이름 및 동의어

(2-methylquinolin-4-yl)methanol4939-28-0DTXSID00436148RefChem:206220DTXCID60386973967-691-7(2-METHYL-QUINOLIN-4-YL)-METHANOLMFCD07371472(2-methyl-4-quinolyl)methanol2-Methylquinoline-4-methanol(2-methyl-4-quinolinyl)methanol2-methyl-4-hydroxymethylquinoline

이름 더 보기

(2-메틸-퀴놀린-4-YL)-메탄올2-Methyl-4-quinolinemethanol4-Quinolinemethanol, 2-methyl-1-(2-Methylquinolin-4-yl)methanol(2-Methylquinolin-4-yl)methanol - [M89007](1-methylindol-2-yl)-[2-(3-pyridyl)-1,3-dithian-2-yl]methanol(1-methylindol-2-yl)-(2-pyridin-3-yl-1,3-dithian-2-yl)methanol

A1BC32-methylquinolin-4-ylmethanolSCHEMBL1366357SCHEMBL39649162-methyl4-hydroxymethylquinolineMNDWQNXETQDJMZ-UHFFFAOYSA-N(2-Methyl-quinolin-4-yl)methanol4-hydroxymethyl-2-methyl quinoline

데이터베이스 식별자

CAS: 4939-28-0
PubChem CID: 10149033
DTXSID: DTXSID00436148
EC Number: 967-691-7
Nikkaji: J3.707.770D

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 148 °C · 148 °C
끓는 점: 337.3 · 337.3±27.0 °C(Predicted)
밀도: 1.179 · 1.179±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.46 · 13.46±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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.