7-Amino-1H-indazole 7-氨基吲唑

CAS 21443-96-9 MFCD00022790

化学结构图

21443-96-9
SMILES: Nc1cccc2cn[nH]c12

化学属性

Mol. FormulaC7H7N3
Mol. Weight133.15
Melting Point156-159°C
Density1.422
TSCANo
Boiling Point376.6°C at 760 mmHg
Flash Point209.5°C

别名和识别编码

Chemical Name7-Amino-1H-indazole
CAS Number21443-96-9
Alfabeta NameINDAZOLAMINE H17---
MDL NumberMFCD00022790
EC Number244-391-8
Beilstein Registry Number0003640
Synonym 1H-Indazol-7-amine {LY} 1H-Indazol-7-amine {} {LY} 1H-Indazol-7-amine {} {} {LY} 1H-Indazol-7-amine {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-7-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-In
Chemical Name Translation7-氨基吲唑
Wiswesser Line NotationT56 BMNJ IZ
PubChem Substance ID329763454
Canonical SMILESNC1=C(NN=C2)C2=CC=C1
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} AminesPrimary
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Indazoles

安全信息

Warnings IRRITANT
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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
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
Hazard Codes Xn
RTECSNK7713000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHTPBA Chimica Therapeutica.  (Paris, France)  V.1-8, 1965-73.  For
   publisher information, see EJMCA5.  Volume(issue)/page/year: 5,24,1970

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
2
H-bond Acceptors
1
Rotatable Bonds
0
LogP
3.572000000000000e-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. Indazoles 吲唑
  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. Indazoles 吲唑

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