[2-(3,4-ジメトキシフェニル)エチル]アミン塩酸塩

Homoveratrylamine hydrochloride

HCID 71555CAS 635-85-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc(CCN)cc1OC.Cl
InChIKey: WIOOTMZLCZPTDW-UHFFFAOYSA-N
分子式: C10H16ClNO2
平均分子量: 217.69 g/mol
単同位体質量: 217.08695643

名称と識別子

優先名称: Homoveratrylamine hydrochloride
IUPAC: 2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
現地名: [2-(3,4-ジメトキシフェニル)エチル]アミン塩酸塩
英語名: 2-(3,4-dimethoxyphenyl)ethanamine
分子式: C10H15NO2
分子量: 0

名称と別名

635-85-8Homoveratrylamine hydrochlorideBenzeneethanamine, 3,4-dimethoxy-, hydrochloride3,4-Dimethoxyphenethylamine hydrochlorideUNII-TTV20379WYNSC 141621TTV20379WYPhenethylamine, 3,4-dimethoxy-, hydrochloride3,4-Dimethoxy-beta-phenylethylamine hydrochlorideBENZENEETHANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE (1:1)NSC-141621DTXSID00212904

名称をさらに表示

[2-(3,4-ジメトキシフェニル)エチル]アミン塩酸塩3,4-ジメトキシフェネチルアミン・塩酸塩2-(3,4-dimethoxyphenyl)ethan-1-amine hydrochloride2-(3,4-DIMETHOXYPHENYL) ETHANAMINE HYDROCHLORIDE[2-(3,4-Dimethoxyphenyl)ethyl]amine hydrochloride

2-(3,4-dimethoxyphenyl)ethylamine hydrochlorideO,O-DIMETHYLDOPAMINE HYDROCHLORIDE.BETA.-(3,4-DIMETHOXYPHENYL)ETHYLAMINE HYDROCHLORIDERefChem:146785DTXCID90135395Benzeneethanamine, 3,4-dimethoxy-, hydrochloride (9CI)BETA-(3,4-DIMETHOXYPHENYL)ETHYLAMINE HYDROCHLORIDE2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride

データベース識別子

CAS: 635-85-8
PubChem CID: 71555
DTXSID: DTXSID00212904
UNII: TTV20379WY
EC Number: 636-318-7

物性

構造計算による物性

極性表面積: 44.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 141

物理化学的性質

融点: 195 · 195-196℃ (ethanol )
溶解性: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 25 mg/ml; Methanol: 1 mg/ml; PBS (pH 7.2): 10 mg/ml
外見: A crystalline solid

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

説明3,4-Dimethoxyphenethylamine (hydrochloride) (Item No. 14141) is an analytical reference standard that is structurally categorized as a phenethylamine. It inhibits the deamination of tyramine and tryptamine by rat brain monoamine oxidase. This product is intended for research and forensic applications.

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