3-(2-Aminoethyl)phenol hydrochloride

HCID 77001

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基本情報

CAS: 3458-98-8
標準SMILES: Cl.NCCc1cccc(O)c1
InChIKey: GTIWCKXKQGMMQZ-UHFFFAOYSA-N
分子式: C8H12ClNO
平均分子量: 173.64 g/mol
単同位体質量: 173.06074168

名称と識別子

優先名称: 3-(2-Aminoethyl)phenol hydrochloride
IUPAC: 3-(2-aminoethyl)phenol;hydrochloride
英語名: 3-Hydroxyphenethylamine hydrochloride
分子式: C8H12ClNO
分子量: 173.64

名称と別名

3-(2-Aminoethyl)phenol hydrochloride3-Hydroxyphenethylamine hydrochloridePhenol, 3-(2-aminoethyl)-, hydrochloride (1:1)RefChem:490645222-396-6671-526-13458-98-8m-Tyramine hydrochloridePhenol, 3-(2-aminoethyl)-, hydrochloride3-(2-aminoethyl)phenol;hydrochlorideMFCD00040591EINECS 222-396-6

名称をさらに表示

3-Hydroxyphenethylamine, HCl3-(2-AMino-ethyl)-phenol HCl2-(3-Hydroxyphenyl)ethanamineHCl3-(2-aminoethyl)-phenohydrochloride3-hydroxy-benzeneethanaminhydrochloride3-(2-aminoethyl)phenol hydrochloride - [A49522]3-HYDROXYPHENETHYLAMINE HYDROCHLORIDE (M -TYRAMINE HCL) DOP

Benzeneethanamine, 3-hydroxy-, hydrochloride2-(3-hydroxyphenyl)ethylamine hydrochloride3-Hydroxyphenethylamine HClSCHEMBL453247SCHEMBL31505864DTXSID20188137434H29Q4DA3-hydroxy phenethylamine hydrochloride

データベース識別子

CAS: 3458-98-8
PubChem CID: 77001
DTXSID: DTXSID20188137
UNII: 434H29Q4DA
EC Number: 222-396-6

物性

構造計算による物性

極性表面積: 46.3 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 95.3

物理化学的性質

融点: 162 °C · 162 °C
貯蔵温度: Hygroscopic, Refrigerator, under inert atmosphere
溶解性: 2 O: · H2O: ≥10 mg/mL
外見: 個体
色: オフホワイトからタン

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.