6-메톡시-1-메틸-1H-인돌-3-카발데하이드

6-Methoxy-1-methyl-1H-indole-3-carbaldehyde

HCID 1382010CAS 202807-44-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc2c(C=O)cn(C)c2c1
InChIKey: WRHNJAIUBFJMEM-UHFFFAOYSA-N
분자식: C11H11NO2
평균 분자량: 189.21 g/mol
단동위원소 질량: 189.07897859

이름 및 식별자

우선 이름: 6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
IUPAC: 6-methoxy-1-methylindole-3-carbaldehyde
현지명: 6-메톡시-1-메틸-1H-인돌-3-카발데하이드
영어명: 6-METHOXY-1-METHYL-1H-INDOLE-3-CARBALDEHYDE
분자식: C11H11NO2
분자량: 189.21

이름 및 동의어

6-Methoxy-1-methyl-1H-indole-3-carbaldehyde202807-44-1DTXSID70362541RefChem:308700DTXCID903135906-methoxy-1-methylindole-3-carbaldehydeMFCD041140111H-Indole-3-carboxaldehyde, 6-methoxy-1-methyl-MLS000718495SMR0002907636-Methoxy-1-methyl-1H-indole-3-carboxaldehydeOpera_ID_1406

이름 더 보기

6-메톡시-1-메틸-1H-인돌-3-카발데하이드AKOS JY20826066-METHOXY-1-METHYLINDOLE-3-CARBOXALDEHYDE6-Methoxy-1-methyl-1H-indol-3-carbaldehyde6-Methoxy-1-methyl-1H-indole-3-carboxaldehyde 95%6-methoxy-1-methyl-1H-indole-3-carbaldehyde(SALTDATA: FREE)

SCHEMBL1093559CHEMBL1503132HMS2690D04ALBB-005047SBB013183STK260086AKOS000302668MA-0841

데이터베이스 식별자

CAS: 202807-44-1
PubChem CID: 1382010
DTXSID: DTXSID70362541
ChEMBL: CHEMBL1503132
EC Number: 185-808-2

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 31.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

실험 및 물리화학적 성질

Solubility>28.4 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 127 · 127-129
끓는 점: 357.9 · 357.9±22.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen

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.