1H-​Indazol-​3-​amine 3-氨基吲唑

CAS 874-05-5 MFCD00182045

化学结构图

874-05-5
SMILES: Nc1n[nH]c2ccccc12

化学属性

Mol. FormulaC7H7N3
Mol. Weight133.15
Melting Point156-157°C
Density1.422
TSCAYes
Boiling Point376.6°C at 760 mmHg

别名和识别编码

Chemical Name1H-​Indazol-​3-​amine
CAS Number874-05-5
Alfabeta NameINDAZOLAMINE H13---
MDL NumberMFCD00182045
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 1H-Indazol-3-amine {LY} 1H-Indazol-3-amine {} {LY} 1H-Indazol-3-amine {} {} {LY} 1H-Indazol-3-amine {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-In
Chemical Name Translation3-氨基吲唑
InChIKeyYDTDKKULPWTHRV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00144727
PubChem Substance ID13399
InChIInChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
Canonical SMILESNC1=NNC2=C1C=CC=C2
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分类

  • {KO} AminesSecondaryHeteroNH
  • Amines, Building Blocks, C7, Chemical Synthesis, New Products for Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {KO} AminesPrimary
  • {SNA} Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Bu

安全信息

Warnings IRRITANT
Signal word Danger
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；
  • 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）；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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
  • R34 Causes burns 会导致灼伤
  • R25 Toxic if swallowed 吞咽有毒
Precautionary statements
UN Number 3259 UN2811
Packing GroupIII
Hazard Codes T
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
1

其他信息

  • 上游原料:正丁醇 --> 水合肼 --> 2-氟苯腈
  • MOL 文件:874-05-5.mol
  • 检测方法:HPLC,NMR
  • 存储注意事项:热敏感

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. C7 - Amines

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