1-(3-Methylbenzyl)Piperazine 1-(3-甲基苄基)哌嗪

CAS 5321-48-2 MFCD01321003

化学结构图

5321-48-2
SMILES: CC1=CC(CN2CCNCC2)=CC=C1

化学属性

Mol. FormulaC12H18N2
Mol. Weight190.28
Density1.001
Refractive indexn20/D 1.5400(lit.)
Boiling Point256-257 °C at 760 mmHg
Flash Point120 ºC
Melting Point110 °C

别名和识别编码

Chemical Name1-(3-Methylbenzyl)Piperazine
CAS Number5321-48-2
Synonym 1-(3-Methylbenzyl)piperazine {LY} 1-(3-Methylbenzyl)piperazine {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methylbenzyl)piperazine {} {} {} {} {} {} {} {} {} {} {} {}
EC Number226-184-4
Beilstein Registry Number0147016
MDL NumberMFCD01321003
PubChem Substance ID24883590
Chemical Name Translation1-(3-甲基苄基)哌嗪
InChIKeyVTEOTZPEMDQENX-UHFFFAOYSA-N
Wiswesser Line NotationT6M DNTJ D1R C1
LabNetwork Molecule IDLN00239606
Canonical SMILESCC1=CC(CN2CCNCC2)=CC=C1
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分类

  • {SNA} Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, Piperazines
  • Aromatics
  • Heterocycles

产品应用

  • Piperazine derivative used as reference materials for forensic laboratories.

相关文献及参考

  • Brady, J., et al.: Drug Dev. Res., 20, 231 (1990),

安全信息

Signal word
GHS Symbol
WGK Germany2
Safety Statements
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSTM1400000
Hazard Codes Xn Xn,Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:5321-48-2(sigmaaldrich)
  • MOL 文件:5321-48-2.mol
  • Hazard Note:Irritant
  • 上游原料:乙酸乙酯 --> 甲醇 --> 二氯甲烷 --> 石油醚 --> 甲苯 --> 碳酸钾 --> 哌嗪 --> 3-甲基苄基氯

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Piperazines 哌嗪
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Piperazines 哌嗪
  5. C12 - Piperazines

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