1-메틸인돌-3-카르복실산메틸에스테르

Methyl 1-methyl-1H-indole-3-carboxylate

HCID 842006CAS 108438-43-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cn(C)c2ccccc12
InChIKey: RAIZQIUZLCMHAK-UHFFFAOYSA-N
분자식: C11H11NO2
평균 분자량: 189.21 g/mol
단동위원소 질량: 189.07897859

개요

methyl 1-methylindole-3-carboxylate has been reported in Arabidopsis thaliana with data available.

이름 및 식별자

우선 이름: Methyl 1-methyl-1H-indole-3-carboxylate
IUPAC: methyl 1-methylindole-3-carboxylate
현지명: 1-메틸인돌-3-카르복실산메틸에스테르
영어명: 1-methylindole-3-carboxylic acid methyl ester
분자식: C11H11NO2
분자량: 189.21

이름 및 동의어

methyl 1-methyl-1H-indole-3-carboxylate108438-43-3DTXSID40357065RefChem:157150DTXCID50308124methyl 1-methylindole-3-carboxylateMFCD000855701-methylindole-3-carboxylic acid methyl esterCHEMBL48774561H-Indole-3-carboxylic acid, 1-methyl-, methyl esterSCHEMBL1092934SCHEMBL31621504

이름 더 보기

1-메틸인돌-3-카르복실산메틸에스테르Methyl-N-Methylindole-3-Carboxylate1-methylindole-3-carboxylic acid methyl este1-Methyl-1H-indole-3-carboxylic acid methyl ester

RAIZQIUZLCMHAK-UHFFFAOYSA-NIEA43843methyl 1-methyl-3-indolecarboxylateBDBM50577600SBB020306STK317501AKOS000308008BS-4031

데이터베이스 식별자

CAS: 108438-43-3
PubChem CID: 842006
DTXSID: DTXSID40357065
ChEMBL: CHEMBL4877456
EC Number: 631-235-2
Nikkaji: J2.453.496K

물성

구조 계산 물성

XLogP: 2.1
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: 229

물리화학적 성질

녹는점: 87.6 · 87.6-88.7 °C
끓는 점: 320.2 · 320.2±15.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.