3,4-ジヒドロキシフェニルエチルアミン

4-(2-Aminoethyl)pyrocatechol hydrobromide

HCID 71564CAS 645-31-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Br.NCCc1ccc(O)c(O)c1
InChIKey: SGRSNYSOAPBTJP-UHFFFAOYSA-N
分子式: C8H12BrNO2
平均分子量: 234.09 g/mol
単同位体質量: 233.00514072

名称と識別子

優先名称: 4-(2-Aminoethyl)pyrocatechol hydrobromide
IUPAC: 4-(2-aminoethyl)benzene-1,2-diol;hydrobromide
現地名: 3,4-ジヒドロキシフェニルエチルアミン
英語名: Dopamine
分子式: C8H12BrNO2
分子量: 234.09

名称と別名

4-(2-Aminoethyl)pyrocatechol hydrobromide1,2-Benzenediol, 4-(2-aminoethyl)-, hydrobromide (1:1)RefChem:512203211-436-8645-31-8Dopamine hydrobromide3-Hydroxytyramine hydrobromide4-(2-Aminoethyl)-1,2-benzenediol hydrobromide3,4-Dihydroxy-phenethylamine hydrobromide4-(2-aminoethyl)benzene-1,2-diol;hydrobromidePyrocatechol, 4-(2-aminoethyl)-, hydrobromide1,2-Benzenediol, 4-(2-aminoethyl)-, hydrobromide

名称をさらに表示

3,4-ジヒドロキシフェニルエチルアミン3-ヒドロキシチラミン臭化水素酸塩4-(2-アミノエチル)-1,2-ベンゼンジオール・臭化水素酸塩ドーパミン臭化水素酸塩3-ヒドロキシチラミン臭化水素酸塩usafel-47Dopamine=PIHDopamine USP/EP/BP4-(aminoethyl)catechol4-(2-aminoethyl)-pyrocatecho4-(2-aminoethyl)pyrocatechol3,4-dihydroxyphenylethylamine3-Hydroxytramine Hydrobromide4-(2-aminoethyl)-2-benzenediol

USAF EL-47EINECS 211-436-84-(2-aminoethyl)benzene-1,2-diol hydrobromideNSC 44457Phenethylamine, 3,4-dihydroxy-, hydrobromideMT86RG32QVSCHEMBL3769932SCHEMBL30960386

データベース識別子

CAS: 645-31-8
PubChem CID: 71564
DTXSID: DTXSID20214748
UNII: MT86RG32QV
EC Number: 211-436-8

物性

構造計算による物性

極性表面積: 66.5 Å²
水素結合供与体数: 4
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 119

物理化学的性質

融点: 218 · 218-220 °C(lit.)
外見: solid
InChI: 1S/C8H11NO2.BrH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
InChIKey: SGRSNYSOAPBTJP-UHFFFAOYSA-N
SMILES: Br.NCCc1ccc(O)c(O)c1
CAS データベース: 645 · 645-31-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 4.9% (2 of 41) of reports.

Warning

H315 (95.1%): 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 04-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19950

Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)

安全データ

wgk: 3
rtecs: SH2290150
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用3-Hydroxytyramine hydrobromide was used in the preparation of dopamine standards to measure the dopamine release and uptake in striatal brain slices from R6/1 HD model mice by fast-scan cyclic voltammetry. It was employed as internal standard in the determination of catecholamines in biological tissues by liquid chromatography.