1-Acetylguanidine 1-乙酰基胍

CAS 5699-40-1 MFCD00075615

化学结构图

5699-40-1
SMILES: CC(=O)NC(=N)N

化学属性

Mol. FormulaC3H7N3O
Mol. Weight101.11
Melting Point181-183°C

别名和识别编码

Chemical Name1-Acetylguanidine
CAS Number5699-40-1
Alfabeta NameACETYLGUANIDINE N-
MDL NumberMFCD00075615
PubChem Substance ID38263
EC Number227-180-5
Synonym N-Carbamimidoylacetamide {LY} N-Carbamimidoylacetamide {} {LY} N-Carbamimidoylacetamide {} {} {LY} N-Carbamimidoylacetamide {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Carbamimidoylacetamide {} {} {} {} {} {} {}
Chemical Name Translation1-乙酰基胍
InChIKeyNGGXACLSAZXJGM-UHFFFAOYSA-N
LabNetwork Molecule IDLN00010984
InChIInChI=1S/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7)
Canonical SMILESCC(=O)NC(N)=N
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分类

  • {KO} AminesSecondaryHeteroNH
  • Building Blocks, Chemical Synthesis, Guanidines, Nitrogen Compounds, Organic Building Blocks
  • {KO} Amidines
  • {SNA} Building Blocks, Chemical Synthesis, Guanidines, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beil. 3 ,88
  • FT-NMR 1 (1), 1329:C / RegBook 1 (1), 965:H / Structure Index 1 , 150:A:4

安全信息

Warnings IRRITANT
WGK Germany3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

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
2
Rotatable Bonds
1
LogP
-9.628000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Guanidines - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Guanidines - Nitrogen Compounds

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