3,4-Methylenedioxyphenethylamine Hydrochloride 3,4-亚甲二氧苯乙胺盐酸盐

CAS 1653-64-1 MFCD00035193

化学结构图

1653-64-1
SMILES: Cl.NCCc1ccc2c(c1)OCO2

化学属性

Mol. FormulaC9H12ClNO2
Mol. Weight201.65
Melting Point216-218 °C
TSCANo
Refractive index1.5620
Boiling Point166 °C at 760 mmHg
Density1.225

别名和识别编码

Chemical Name3,4-Methylenedioxyphenethylamine Hydrochloride
CAS Number1653-64-1
Alfabeta NameMETHYLENEDIOXYPHENETHYLAMINEHYDROCHLORIDE 34-,
MDL NumberMFCD00035193
PubChem Substance ID74246
Synonym 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloride {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3,4-亚甲二氧苯乙胺盐酸盐
InChIKeyNDYXFQODWGEGNU-UHFFFAOYSA-N
Wiswesser Line NotationT56 BO DO CHJ G2Z &GH
LabNetwork Molecule IDLN00115692
InChIInChI=1S/C9H11NO2.ClH/c10-4-3-7-1-2-8-9(5-7)12-6-11-8;/h1-2,5H,3-4,6,10H2;1H
Canonical SMILESNCCC1=CC2=C(OCO2)C=C1.Cl
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分类

  • {SNA} Amine Salts, Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT, IRRITANT-HARMFUL, MOISTURE SENSITIVE
WGK Germany3
RTECSSH9710000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有剧毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes T+,Xi
UN Number UN 2811 6.1/PG 2 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 55 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   25,299,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 245 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   25,299,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 28 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   25,299,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Primate - monkey
DOSE/DURATION           : 45 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:

Storage condition

其他信息

  • Sigma Aldrich:1653-64-1(sigmaaldrich)
  • 用途一:是重要的医药中间体，用于制造小檗碱和多巴胺等
  • MOL 文件:1653-64-1.mol
  • 下游产品:3,4-亚甲二氧苯乙胺

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Amine Salts - Nitrogen Compounds

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