2-(Piperazin-1-yl)nicotinonitrile 2-哌嗪烟酰腈

CAS 84951-44-0 MFCD00190248

化学结构图

84951-44-0
SMILES: N#CC1C=CC=NC=1N1CCNCC1

化学属性

Mol. FormulaC10H12N4
Mol. Weight188.22908
Melting Point102-104 °C
Density
Boiling Point388.0±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-(Piperazin-1-yl)nicotinonitrile
CAS Number84951-44-0
Alfabeta NamePIPERAZINONICOTINONITRILE 2-
MDL NumberMFCD00190248
Synonym 2-Piperazin-1-ylnicotinonitrile {LY} 2-Piperazin-1-ylnicotinonitrile {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Piperazin-1-ylnicotinon
Chemical Name Translation2-哌嗪烟酰腈
EC Number
Beilstein Registry Number
PubChem Substance ID329790407
Canonical SMILESN#CC1=CC=CN=C1N2CCNCC2
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Nitriles
  • {SNA} Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, Piperazines, Pyridines
  • Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Piperazines, Pyridines

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301 IF SWALLOWED: 如果吞下去
Signal word Danger
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
UN Number
Safety Statements
RTECS
Packing Group
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
3
Rotatable Bonds
1
LogP
5.302000000000000e-001

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. C10 - Piperazines

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