METHYLPHENYLETHYLAMINE HCL, R-BETA-

2-Phenylpropylamine hydrochloride

HCID 89332CAS 20388-87-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(CN)c1ccccc1.Cl
InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N
分子式: C9H14ClN
平均分子量: 171.67 g/mol
単同位体質量: 171.08147713

名称と識別子

優先名称: 2-Phenylpropylamine hydrochloride
IUPAC: 2-phenylpropan-1-amine;hydrochloride
現地名: METHYLPHENYLETHYLAMINE HCL, R-BETA-
英語名: 2-Phenylpropan-1-amine hydrochloride
分子式: C9H14ClN
分子量: 171.66716

名称と別名

2-phenylpropan-1-amine hydrochloride20388-87-82-Phenylpropylamine hydrochloridebeta-Methylphenethylamine hydrochlorideUE6X81QXLSPhenethylamine, beta-methyl-, hydrochloride2-PHENYL-1-PROPANAMINE MONOHYDROCHLORIDE.BETA.-METHYLBENZENEETHANAMINE HYDROCHLORIDEBENZENEETHANAMINE, .BETA.-METHYL-, HYDROCHLORIDE (1:1)RefChem:478224Benzeneethanamine, beta-methyl-, hydrochloride (1:1)BETA-METHYLBENZENEETHANAMINE HYDROCHLORIDE

名称をさらに表示

METHYLPHENYLETHYLAMINE HCL, R-BETA-N-Ethyl-βN-Ethyl-d5-βBMPEA (hydrochloride)2-phenylpropylammonium chlorideBeta-MethylphenylethylaMine HClMETHYLPHENYLETHYLAMINE HCL, BETA-2-Phenyl-1-propanamine hydrochlorideβ-Methylphenethylamine hydrochloride

2-PHENYLPROPYLAMINE HYDROCHLORIDE, (+-)-872-275-252991-03-42-phenylpropan-1-amine;hydrochloridePhenethylamine, beta-methyl-, hydrochloride, (+-)-(R)-2-Phenyl-propyl-1-amine hydrochlorideb-Methylphenethylamine Hydrochloride2-phenyl-1-propylamine HCl

データベース識別子

CAS: 20388-87-8、52991-03-4
PubChem CID: 89332
DTXSID: DTXSID00942557
UNII: UE6X81QXLS
EC Number: 872-275-2

物性

構造計算による物性

極性表面積: 26 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 84.7

物理化学的性質

融点: 143 · 143-144℃
外見: 粉
色: クリーム色～淡黄色
InChI: InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H
InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N
SMILES: NCC(C)C1=CC=CC=C1.[H]Cl
CAS データベース: 20388 · 20388-87-8

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

応用分野 · 3 件

説明BMPEA is a phenethylamine compound and positional isomer of amphetamine that has been found in nutritional supplements and classified as a novel doping substance. It acts as an agonist of the human trace amine-associated receptor 1 (EC50s = 325 and 104 nM for R(+) and S(-) isomers, respectively). This product is intended for forensic and research purposes.

使用2-phenyl-1-propylamine hydrochloride is an amine organic compound, which can be used as pharmaceutical intermediates.

一般的な説明b-Methylphenethylamine is the hydrochloride salt of b-Methylphenethylamine. b-Methylphenethylamine is a positional isomer of Amphetamine (HCl: A634240), and as a result, has been classified as a doping agent by the World-Anti Doping Agency. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package