4-(2-アミノプロピル)フェノール

Hydroxyamfetamine

HCID 3651CAS 103-86-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(N)Cc1ccc(O)cc1
InChIKey: GIKNHHRFLCDOEU-UHFFFAOYSA-N
分子式: C9H13NO
平均分子量: 151.21 g/mol
単同位体質量: 151.09971404

概要

4-(2-aminopropyl)phenol is a member of amphetamines.

名称と識別子

優先名称: Hydroxyamfetamine
IUPAC: 4-(2-aminopropyl)phenol
現地名: 4-(2-アミノプロピル)フェノール
英語名: 4-(2-aminopropyl)phenol
分子式: C9H13NO
分子量: 151.21

名称と別名

4-(2-Aminopropyl)phenolhydroxyamphetamine103-86-6HydroxyamfetamineNorveritolPulsotonOxamphetaminiumOksamfetaminOxamfetaminParedrinexNov-Pholedrinp-(2-Aminopropyl)phenol

名称をさらに表示

4-(2-アミノプロピル)フェノール2-(4-ヒドロキシフェニル)-1-メチルエチルアミン1-(4-ヒドロキシフェニル)プロパン-2-アミンNorpholedrinep-Hydroxyamphetamine.alpha.-MethyltyraminePhenol,4-(2-aminopropyl)-Dl-p-(2-aminopropyl)phenol4-Hydroxy-.alpha.-methylphenethylamine2-(4-Hydroxyphenyl)-1-methylethylamine

Phenol, p-(2-aminopropyl)-DL-p-Hydroxyamphetamine1-p-Hydroxyphenyl-2-propylaminedl-4-hydroxyamphetamine2-Amino-1-(p-hydroxyphenyl)propaneNSC 170995Hydroxyamfetamine [INN]Hidroxianfetamina

データベース識別子

CAS: 103-86-6
PubChem CID: 3651
DTXSID: DTXSID3023134
ChEMBL: CHEMBL1546
ChEBI: CHEBI:103855
UNII: FQR280JW2N
EC Number: 203-152-8
Nikkaji: J182.169E

物性

構造計算による物性

XLogP: 1.4
極性表面積: 46.3 Å²
水素結合供与体数: 2
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: 108

実験および物理化学的性質

DrugsDEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (S)

物理化学的性質

融点: 125 · 125-126 °C
沸点: 279.2 · 279.2±15.0 °C(Predicted)
比重(密度): 1.07 · 1.070±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
外見: Solid
酸解離定数(Pka): 9.83 · 9.83±0.15(Predicted)
色: White to off-white

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

毒性: LDLo intravenous in rat: 100mg/kg

化学と産業

薬理情報

Protein BindingIntended for local use only (ophthalmic use).

Mechanism of ActionHydroxyamphetamine hydrobromide is an indirect acting sympathomimetic agent which causes the release of norepinephrine from adrenergic nerve terminals, resulting in mydriasis.

Metabolism/Metabolites · 2 件

Intended for local use only (ophthalmic use).

4-Hydroxyamphetamine is a known human metabolite of Amphetamine.

FDA Pharmacological Classification · 5 件

FQR280JW2N

HYDROXYAMPHETAMINE

Mechanisms of Action [MoA] - Adrenergic Agonists

Established Pharmacologic Class [EPC] - Adrenergic Receptor Agonist

Hydroxyamphetamine is an Adrenergic Receptor Agonist. The mechanism of action of hydroxyamphetamine is as an Adrenergic Agonist.

Absorption, Distribution and Excretion · 4 件

Intended for local use only (ophthalmic use).

Tissue LocationsKidney

調製方法 · 1 件

純化方法Crystallise the phenol from *benzene. The R-(-)-enantiomer crystallises from EtOH or *C6H6 with m 110.5-111.5o and []17 -52.0o (c 1, EtOH). The (±)-hydrochloride has m 171-172o (EtOH/Et2O), and the 2,4-dinitrophenylhydrazone has m 190-192o (EtOH). [Beilstein 13 I 251, 13 III 1709, 13 IV 1871.]