2,3-ジメトキシフェネチルアミン

2,3-Dimethoxyphenethylamine

HCID 137858

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基本情報

CAS: 3213-29-4
標準SMILES: COc1cccc(CCN)c1OC
InChIKey: XKBUFTXNLBWTFP-UHFFFAOYSA-N
分子式: C10H15NO2
平均分子量: 181.23 g/mol
単同位体質量: 181.11027872

名称と識別子

優先名称: 2,3-Dimethoxyphenethylamine
IUPAC: 2-(2,3-dimethoxyphenyl)ethanamine
現地名: 2,3-ジメトキシフェネチルアミン
英語名: 2,3-Dimethoxyphenethylamine
分子式: C10H15NO2
分子量: 181.23

名称と別名

2,3-Dimethoxyphenethylamine3213-29-4LUW5Z6DJ9QDTXSID10185913RefChem:81805DTXCID50108404625-549-9XKBUFTXNLBWTFP-UHFFFAOYSA-N2-(2,3-Dimethoxyphenyl)ethanamine2-(2,3-dimethoxyphenyl)ethan-1-amine2,3-DimethoxybenzeneethanamineMFCD00060613

名称をさらに表示

2,3-ジメトキシフェネチルアミン2-(2,3-ジメトキシフェニル)エタンアミン2-(2,3-ジメトキシフェニル)エタン-1-アミン2,3-ジメトキシベンゼンエタンアミンRARECHEM AL BW 0356Xylose Impurity 13-13C1B2,3-Dimethoxyphenylethylamine2,3-Dimethoxyphenethylamine 97%2,3-Dimethoxyphenethylamine ,98%2-(2,3-dimethoxyphenyl)ethylamine

23-DimethoxyphenethylamineBenzeneethanamine, 2,3-dimethoxy-Dopamine Impurity 52UNII-LUW5Z6DJ9Qdimethoxybenzeneethan-amine2,3-dimethoxy phenethylamineSCHEMBL151944SCHEMBL6856486

データベース識別子

CAS: 3213-29-4
PubChem CID: 137858
DTXSID: DTXSID10185913
UNII: LUW5Z6DJ9Q
EC Number: 625-549-9
Nikkaji: J579.370J

物性

構造計算による物性

XLogP: 1.2
極性表面積: 44.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 141

物理化学的性質

沸点: 261 · 261-262 °C(lit.)
比重(密度): 1.178 g/mL · 1.178 g/mL
屈折率: 20 · n20/D 1.5320(lit.)
闪点: 230 °F · >230 °F
酸解離定数(Pka): 9.72 · 9.72±0.10(Predicted)
比重: 1.09 · 1.09
InChI: InChI=1S/C10H15NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6-7,11H2,1-2H3
InChIKey: XKBUFTXNLBWTFP-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=CC(OC)=C1OC
CAS データベース: 3213 · 3213-29-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 Corr. 1B (100%)

安全データ

wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29214990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: AIR SENSITIVE, CORROSIVE
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8B - Non-combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用2,3-Dimethoxyphenethylamine may be used in the synthesis of N-(2,3-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide and N-(3,4-dimethoxyphenethyl)-phenyl acetamide.

一般的な説明2,3-Dimethoxyphenethylamine is identified as one of the components in bamboo (Phyllostachys pubescens) plant extract by gas chromatographic- mass spectrometric analysis. 1-(2,3-dimethoxyphenyl)-2-nitroethene undergoes reduction reaction with lithium aluminum hydride (LiAlH4) in the presence of dry tetrahydrofuran to yield 2,3-dimethoxyphenethylamine.