4-Amino-5-Imidazolecarboxamide Hydrochloride 4-氨基-5-咪唑甲酰胺盐酸盐

CAS 72-40-2 MFCD00012704

化学结构图

72-40-2
SMILES: Cl.NC(=O)c1nc[nH]c1N

化学属性

Mol. FormulaC4H7ClN4O
Mol. Weight162.58
Density1.422
Melting Point250-252°C
TSCAYes
Stability易吸湿,对空气敏感
Appearance 白色或类白色结晶。熔点250-252℃（分解）。能溶于水。
SolubilitySOLUBLE
Boiling Point522.1°C at 760 mmHg

别名和识别编码

Chemical Name4-Amino-5-Imidazolecarboxamide Hydrochloride
Synonym 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-carboxamide (hydrochloride) {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00012704
CAS Number72-40-2
EC Number200-778-3
Beilstein Registry Number3701645
PubChem Substance ID87562653
Chemical Name Translation4-氨基-5-咪唑甲酰胺盐酸盐
Reaxys-RN3701645
LabNetwork Molecule IDLN00173197
InChIInChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H
Canonical SMILESO=C(C1=C(N)NC=N1)N.[H]Cl
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分类

  • {SNA} Building Blocks, C3 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Imidazoles

产品应用

  • Reactant for synthesis of heterocyclic compounds such as purines and pyrimidines

相关文献及参考

  • Starting material for synthesis of the antitumour agent temozolomide. A synthetic pathway employing Ethyl­ isocyanatoacetate, L10609 avoids the use of the highly toxic methyl isocyanate: J. Chem. Soc., Perkin 1, 2783 (1995).

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
RTECSNI3911000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes Xi 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Klebsiella pneumoniae
DOSE/DURATION           : 10 mmol/L/20H
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 66,207,1979

其他信息

  • 上游原料:乙酰胺 --> 苯胺甲酸
  • Acros Organics:4-氨基-5-甲酰胺咪唑盐酸盐 4-Amino-5-imidazolecarboxamide hydrochloride, 98%(72-40-2)
  • 4-氨基-5-咪唑甲酰胺盐酸盐价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 U1162320 达卡巴嗪相关物质A 50mg 6200元 2011/04/16 A1175 5(4)-氨基-4(5)-(氨基羰基)咪唑盐酸盐 5(4)-Amino-4(5)-(aminocarbonyl)imidazole Hydrochloride 5G 622元 2011/04/16 A1175 5(4)-氨基-4(5)-(氨基羰基)咪唑盐酸盐 5(4)-Amino-4(5)-(aminocarbonyl)imidazole Hydrochloride 25G 2400元
  • MSDS 信息:AICA(72-40-2).msds
  • 图谱信息:4-氨基-5-咪唑甲酰胺盐酸盐(72-40-2)核磁图( 13 CNMR) 4-氨基-5-咪唑甲酰胺盐酸盐(72-40-2)质谱(MS) 4-氨基-5-咪唑甲酰胺盐酸盐(72-40-2)红外图谱(IR2) 4-氨基-5-咪唑甲酰胺盐酸盐(72-40-2)红外图谱(IR1) 4-氨基-5-咪唑甲酰胺盐酸盐(72-40-2)核磁图( 1 HNMR)
  • 检测方法:T,NMR
  • Alfa Aesar:5-氨基-4-咪唑氨甲酰.盐酸盐,98% 4-Aminoimidazole-5-carboxamide hydrochloride, 98%(72-40-2)
  • TCI Shanghai:4-氨基-5-咪唑甲酰胺盐酸盐 5(4)-Amino-4(5)-(aminocarbonyl)imidazole Hydrochloride,>;98.0%(T)(72-40-2)
  • Hazard Note:Irritant
  • 用途一:医药中间体。用于生产氮烯咪胺和阿卡明。
  • 敏感性:Hygroscopic
  • 方法一:以α-脒基乙酰胺盐酸盐、苯胺、甲酸为原料，经重氮化、偶合、还原、甲酰化、环合而得。
  • MOL 文件:72-40-2.mol
  • Starting material for synthesis of the antitumour agent temozolomide
  • Sigma Aldrich:72-40-2(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. Homopiperidines 同哌啶
  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. Imidazoles 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. Imidazoles 咪唑
  5. C3 to C8 - Imidazoles

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