6-Aminobenzimidazole 6-氨基苯并咪唑

CAS 934-22-5 MFCD00465258

化学结构图

934-22-5
SMILES: Nc1ccc2nc[nH]c2c1

化学属性

Mol. FormulaC7H7N3
Mol. Weight133.15
Melting Point163-168 °C
Boiling Point222 °C at 3.5 mmHg

别名和识别编码

Chemical Name6-Aminobenzimidazole
CAS Number934-22-5
Alfabeta NameBENZIMIDAZOLAMINE H1135----,
MDL NumberMFCD00465258
Synonym 1H-Benzo[d]imidazol-6-amine {LY} 1H-Benzo[d]imidazol-6-amine {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d]imidazol-6-amine {} {} {} {} {} {} {} {}
Chemical Name Translation6-氨基苯并咪唑
EC Number213-279-0
Reaxys-RN3255
PubChem Substance ID253660004
Wiswesser Line NotationT56 BM DNJ GZ
LabNetwork Molecule IDLN00148489
Canonical SMILESNC1=CC=C2N=CNC2=C1
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分类

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

安全信息

Warnings IRRITANT
Hazard Codes Xi Xn
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
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
RTECSDD5785000
Signal word Warning
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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • P332+P313
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
GHS Symbol 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 28,273,1975

WGK Germany3
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 Acceptors
1
Rotatable Bonds
0
H-bond Donors
2
LogP
1.348000000000000e-001

其他信息

  • Hazard Note:Irritant
  • MOL 文件:934-22-5.mol
  • Sigma Aldrich:934-22-5(sigmaaldrich)

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. Benzimidazoles 苯并咪唑
  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. Pyrazoles 吡唑

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