Indole, 3-(piperidinomethyl)- 3-(哌啶-1-基甲基)-1H-吲哚

CAS 5355-42-0 MFCD00458412

化学结构图

5355-42-0
SMILES: c1ccc2c(CN3CCCCC3)c[nH]c2c1

化学属性

Mol. FormulaC14H18N2
Mol. Weight214.31
Density1.422
Melting Point165-167 °C
Boiling Point365.2±17.0 °C at 760 mmHg
Flash Point174.7±20.9 °C

别名和识别编码

Chemical NameIndole, 3-(piperidinomethyl)-
CAS Number5355-42-0
EC Number250-023-7
Beilstein Registry Number0176547
Chemical Name Translation3-(哌啶-1-基甲基)-1H-吲哚
InChIKeyHPKXPFRRVVWAPD-UHFFFAOYSA-N
Wiswesser Line NotationT56 BMJ D1- AT6NTJ
Synonym 3-(Piperidin-1-ylmethyl)-1H-indole {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmethyl)-1H-indole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylmet
LabNetwork Molecule IDLN00494658
PubChem Substance ID21454
InChIInChI=1S/C14H18N2/c1-4-8-16(9-5-1)11-12-10-15-14-7-3-2-6-13(12)14/h2-3,6-7,10,15H,1,4-5,8-9,11H2
MDL NumberMFCD00458412
Canonical SMILESC1CCN(CC1)CC2=CNC3=CC=CC=C23
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安全信息

Signal word Warning
GHS Symbol
WGK Germany3
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；
  • S36/37/39 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
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
Packing GroupIII
UN Number 3335
Hazard Codes 9
RTECSNM1303000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 22 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#12056

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 84,395,1964

Storage condition

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. Indoles 吲哚
  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. Indolines 吲哚啉

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