基本情報
- CAS
51553-17-4- 標準SMILES
CCNC(C)C(=O)c1ccccc1.Cl- InChIKey
XCVDYVFUJZVVKL-UHFFFAOYSA-N- 分子式
- C11H16ClNO
- 平均分子量
- 213.7 g/mol
- 単同位体質量
- 213.09204181
名称と識別子
- 優先名称
- Ethcathinone hydrochloride
- IUPAC
- 2-(ethylamino)-1-phenylpropan-1-one;hydrochloride
- 英語名
- 2-(Ethylamino)propiophenone hydrochloride
- 分子式
- C11H16ClNO
- 分子量
- 213.7
名称と別名
2-(Ethylamino)propiophenone hydrochloride51553-17-4Ethcathinone HydrochlorideSQ59TT7X5RRMI-8201A1-Propanone, 2-(ethylamino)-1-phenyl-, hydrochloride (1:1)DTXSID10332526RefChem:592578DTXCID00283619UNII-SQ59TT7X5REthcathinone.HCl2-(ethylamino)-1-phenylpropan-1-one;hydrochloride
名称をさらに表示
RMI 8201A2-Ethylaminopropiophenone HCl(±)-N-Ethylcathinone hydrochloride(RS)-2-ethylamino-1-phenyl-propan-1-oneN-Ethylcathinone hydrochloride solution(RS)-2-ethylaMino-1-phenyl-propan-1-one HCl2-(Ethylamino)propiophenone hydrochloride 99%
ethyl-(1-oxo-1-phenylpropan-2-yl)azanium;chloride2-(Ethylamino)propiophenone Hydrochloride (1mg/ml in Acetonitrile)Ethcathinone Hydrochloride; N-Ethyl-cathinone Hydrochloride; 2-(Ethylamino)-1-phenyl-1-propanone hydrochloride; 2-(Ethylamino)propiophenone hydrochloride; RMI 8201Aalpha-Ethylaminopropiophenone, hydrochlorideEthcathinone (hydrochloride)1-Propanone, 2-(ethylamino)-1-phenyl-, hydrochlorideSCHEMBL2955041ethylaminopropiophenone hydrochloride
データベース識別子
- CAS
51553-17-4- PubChem CID
- 458518
- DTXSID
DTXSID10332526- UNII
- SQ59TT7X5R
- EC Number
- 624-972-6
物性
構造計算による物性
- 極性表面積
- 29.1 Ų
- 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
- 4
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 161
物理化学的性質
- 融点
- 195 · 195-198 °C(lit.)
- 闪点
- 9 ℃ · 9℃
- 貯蔵温度
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- 溶解性
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Methanol: 1 mg/ml; PBS (pH 7.2): 10 mg/ml
- 外見
- A crystalline solid
- 主な用途
- 法医学と毒物学
- InChI
- 1S/C11H15NO.ClH/c1-3-12-9(2)11(13)10-7-5-4-6-8-10;/h4-9,12H,3H2,1-2H3;1H
- InChIKey
- XCVDYVFUJZVVKL-UHFFFAOYSA-N
- SMILES
- CC(NCC)C(C1=CC=CC=C1)=O.Cl
化学的性質
化学的特性White Solid
安全と法規制
GHS分類
GHS Classification
Warning
H315 (97.4%): 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 (97.4%)
安全データ
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 36/37/38-39/23/24/25-23/24/25-11
- hazard_code
- Xi,T,F
- safety_code
- 26-36-45-36/37-16-7
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- ストレージクラス
- 3 - Flammable liquids
化学と産業
応用分野
使用Ethcathinone is a metabolite of Diethylpropion. It is a cathinone derivative that produces amphetamine-like stimulus effects
一般的な説明N-Ethylcathinone, or ethylpropion, is an amphetamine and stimulant drug sold along with mephedrone as “ecstasy” at parties and raves. With street names such as ETH-CAT, the illicit drug is also sold in bath salt blends across the US, Europe, and Australia. This Certified Spiking Solution is suitable as starting material in calibrators and controls for GC/MS or LC/MS bath salt testing applications in forensic analysis, urine drug testing or clinical toxicology.
関連反応
2 件
化合物ノート
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