CAS 60124-88-1 (+-)-Methamphetamine-D5 (HCID 71308404)

基本情報

CAS: 60124-88-1
標準SMILES: [2H]C(c1ccccc1)C([2H])(C)NC([2H])([2H])[2H]
InChIKey: MYWUZJCMWCOHBA-CXVYKYTNSA-N
分子式: C10H15N
平均分子量: 154.26 g/mol
単同位体質量: 154.15183321

名称と識別子

優先名称: (+-)-Methamphetamine-D5
IUPAC: 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine
英語名: (+/-)-Methamphetamine-d5
分子式: C10H10D5N
分子量: 154.26

名称と別名

DTXSID101016104RefChem:1049039(+-)-Methamphetamine-D5DTXCID60147424860124-88-1(+/-)-Methamphetamine-D5DL-Methamphetamine-d5rac-Methamphetamine-D5 0.1 mg/ml in Methanolrac-Methamphetamine-D5 1.0 mg/ml in Methanol1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amineN-(~2~H_3_)Methyl-1-phenyl(1,2-~2~H_2_)propan-2-amineDL-METHAMPHETAMINE (D5)

名称をさらに表示

DL-Methamphetamine-d5 solution(±)-Methamphetamine-D5 solution(±)-Methamphetamine-D5, 1.0 mg/mL(+/-)-Methamphetamine-D5 solution(±)-Methamphetamine-D5 solution(±)-Methamphetamine-D5 solution

データベース識別子

CAS: 60124-88-1
PubChem CID: 71308404
DTXSID: DTXSID101016104
EC Number: 980-804-4

物性

構造計算による物性

XLogP: 2.1
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 95

物理化学的性質

沸点: 215.533 · 215.533±9.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 0.907 · 0.907±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
闪点: 11 °C · 11 °C
貯蔵温度: 2 · 2-8°C
外見: liquid
酸解離定数(Pka): 10.382 · 10.382±0.10(predicted)
主な用途: 法医学と毒物学
InChI: 1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/i2D3,8D,9D
InChIKey: MYWUZJCMWCOHBA-CXVYKYTNSA-N
SMILES: N(C(C(c1ccccc1)[2H])(C)[2H])C([2H])([2H])[2H]

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P316, P304+P340, P318, P319, P321, P330, 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. 2 (100%)

安全データ

wgk: 1
ridadr: UN1230 - class 3 - PG 2 - Methanol, solution
risk_code: 11-23/24/25-39/23/24/25
hazard_code: F,T
safety_code: 7-16-36/37-45
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 · 1 件

一般的な説明Methamphetamine is a psychostimulant drug of the phenethylamine and amphetamine classes known by the street names "meth," "ice," and "glass". This internal standard is suitable for quantitation of methamphetamine levels in urine, serum, or plasma by LC/MS or GC/MS for urine drug testing, clinical toxicology, sports testing, forensic analysis, or isotope dilution methods. The dextrorotatory isomer of methamphetamine is a pharmaceutical drug sold under the trade name Desoxyn for treatment of ADHD and obesity.

化合物ノート

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