3-히드록시티라민 하이드로브로마이드

4-(2-Aminoethyl)pyrocatechol hydrobromide

HCID 71564CAS 645-31-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Br.NCCc1ccc(O)c(O)c1
InChIKey: SGRSNYSOAPBTJP-UHFFFAOYSA-N
분자식: C8H12BrNO2
평균 분자량: 234.09 g/mol
단동위원소 질량: 233.00514072

이름 및 식별자

우선 이름: 4-(2-Aminoethyl)pyrocatechol hydrobromide
IUPAC: 4-(2-aminoethyl)benzene-1,2-diol;hydrobromide
현지명: 3-히드록시티라민 하이드로브로마이드
영어명: Dopamine
분자식: C8H12BrNO2
분자량: 234.09

이름 및 동의어

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

이름 더 보기

3-히드록시티라민하이드로브로마이드도파민 하이드로브로마이드usafel-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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 66.5 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 119

물리화학적 성질

녹는점: 218 · 218-220 °C(lit.)
물리적 상태: 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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)

안전 데이터

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
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3-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.