2,2,4-트리메틸-1,2-디하이드로-퀴놀린-6-OL

2,2,4-Trimethyl-1,2-dihydro-6-quinolinol

HCID 599799CAS 72107-05-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1=CC(C)(C)Nc2ccc(O)cc21
InChIKey: QSINDHMECZQCAW-UHFFFAOYSA-N
분자식: C12H15NO
평균 분자량: 189.25 g/mol
단동위원소 질량: 189.1153641

이름 및 식별자

우선 이름: 2,2,4-Trimethyl-1,2-dihydro-6-quinolinol
IUPAC: 2,2,4-trimethyl-1H-quinolin-6-ol
현지명: 2,2,4-트리메틸-1,2-디하이드로-퀴놀린-6-OL
영어명: 2,2,4-TRIMETHYL-1,2-DIHYDRO-QUINOLIN-6-OL
분자식: C12H15NO
분자량: 189.25

이름 및 동의어

2,2,4-Trimethyl-1,2-dihydro-6-quinolinolRefChem:440710664-105-972107-05-22,2,4-trimethyl-1,2-dihydroquinolin-6-ol2,2,4-trimethyl-1H-quinolin-6-olEthoxyquin-desethylMFCD001930336-Quinolinol, 1,2-dihydro-2,2,4-trimethyl-SCHEMBL43758486-hydroxy-1,2-dihydro-2,2,4-trimethylquinolineSTK788955

이름 더 보기

2,2,4-트리메틸-1,2-디하이드로-퀴놀린-6-OL1,2-Dihydro-2,2,4-trimethyl-6-quinolinol2,2,4-trimethyl-1H-quinolin-6-ol - [T87309]2,2,4-trimethyl-1,2-dihydro-6-quinolinol(SALTDATA: FREE)

AKOS000270109SB68525SY2815472,2,4-Trimethyl-1,2-dihydro-6-quinolinol #E736482,2,4-Trimethyl-1,2-dihydro-quinolin-6-olSR-01000493224-1ETHOXYQUIN_met011

데이터베이스 식별자

CAS: 72107-05-2
PubChem CID: 599799
DTXSID: DTXSID70344827
ChEMBL: CHEMBL575020
EC Number: 664-105-9
Nikkaji: J444.040D

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 257

실험 및 물리화학적 성질

Collision Cross Section135.06 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 178 · 178-179 °C
끓는 점: 337 · 337.0±42.0 °C(Predicted)
밀도: 1.048 · 1.048±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 11.05 · 11.05±0.40(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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.