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

HCID 842006CAS 108438-43-3

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1cn(C)c2ccccc12
InChIKey: RAIZQIUZLCMHAK-UHFFFAOYSA-N
分子式: C11H11NO2
平均分子量: 189.21 g/mol
単同位体質量: 189.07897859

概要

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

名称と識別子

優先名称: Methyl 1-methyl-1H-indole-3-carboxylate
IUPAC: methyl 1-methylindole-3-carboxylate
英語名: 1-methylindole-3-carboxylic acid methyl ester
分子式: C11H11NO2
分子量: 189.21

名称と別名

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

名称をさらに表示

Methyl-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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.1
極性表面積: 31.2 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 229

物理化学的性質

融点: 87.6 · 87.6-88.7 °C
沸点: 320.2 · 320.2±15.0 °C(Predicted)
比重(密度): 1.14 · 1.14±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

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.