5-Hydroxyindole

HCID 178723273CAS 1952-54-4

基本情報

標準SMILES: Oc1ccc2[nH]ccc2c1
InChIKey: LMIQERWZRIFWNZ-UHFFFAOYSA-N
分子式: C8H7NO
平均分子量: 133.15 g/mol

概要

5-hydroxyindole is a member of the class of hydroxyindoles that is 1H-indole in which the hydrogen at position 5 has been replaced by a hydroxy group. It has a role as a human metabolite.

名称と識別子

優先名称: 5-Hydroxyindole
IUPAC: 1H-indol-5-ol
英語名: 5-Hydroxyindole
分子量: 0

名称と別名

5-Hydroxyindole1H-Indol-5-ol1953-54-4INDOL-5-OL5-Hydroxy-1H-indoleDTXSID00173187320UN7XZYNNSC-87503CHEBI:896491 H-indol-5-olRefChem:102888DTXCID5095678

名称をさらに表示

5-Hydroxyindole in stock Factory

217-782-65-IndololHydroxy-5 indoleMFCD000056775-hydroxy indoleUNII-320UN7XZYN3fuhHydroxy-5 indole [French]

データベース識別子

CAS: 1952-54-4
ChEMBL: CHEMBL404923
ChEBI: CHEBI:89649
UNII: 320UN7XZYN
EC Number: 217-782-6
Nikkaji: J41.080B

物性

構造計算による物性

XLogP: 2
極性表面積: 36 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 126

実験および物理化学的性質

LogP1.29

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

化学と産業

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