1,3-ジメチル-1H-インドール

1,3-Dimethylindole

HCID 70130CAS 875-30-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cn(C)c2ccccc12
InChIKey: NAPPMSNSLWACIV-UHFFFAOYSA-N
分子式: C10H11N
平均分子量: 145.2 g/mol
単同位体質量: 145.08914936

名称と識別子

優先名称: 1,3-Dimethylindole
IUPAC: 1,3-dimethylindole
現地名: 1,3-ジメチル-1H-インドール
英語名: 1,3-dimethylindole
分子式: C10H11N
分子量: 145.2

名称と別名

1,3-Dimethylindole875-30-9Indole, 1,3-dimethyl-1H-Indole, 1,3-dimethyl-UNII-NT347J42P8NT347J42P8NSC 6231NSC-6231EINECS 212-872-1DTXSID80236360RefChem:72738Indole, 1,3-dimethyl-(8CI)

名称をさらに表示

1,3-ジメチル-1H-インドールRamosetron Impurity 28

DTXCID801588511H-Indole, 1,3-dimethyl-(9CI)212-872-1NAPPMSNSLWACIV-UHFFFAOYSA-N1,3-Dimethyl-1H-indoleMFCD00030239N-Methylscatole1-Methylskatole

データベース識別子

CAS: 875-30-9
PubChem CID: 70130
DTXSID: DTXSID80236360
UNII: NT347J42P8
EC Number: 212-872-1
Nikkaji: J45.618G

物性

構造計算による物性

XLogP: 2.4
極性表面積: 4.9 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 144

実験および物理化学的性質

Kovats Retention Index1383；1359.1

物理化学的性質

融点: 142 °C · 142°C
沸点: 258.55 °C · 258.55°C
比重(密度): 1.0472 · 1.0472 (rough estimate)
屈折率: 1.5 · 1.5000 (estimate)
貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.