2-Oxo-1-Benzimidazolinebutyric Acid 2-氧代-1-苯并咪唑啉丁酸

CAS 3273-68-5 MFCD06656423

化学结构图

3273-68-5
SMILES: O=C(O)CCCn1c(=O)[nH]c2ccccc21

化学属性

Mol. FormulaC11H12N2O3
Mol. Weight220.22
Melting Point175-176°C
Boiling Point422.74 °C at 760 mmHg

别名和识别编码

Chemical Name2-Oxo-1-Benzimidazolinebutyric Acid
CAS Number3273-68-5
Alfabeta NameOXODIHYDROBENZIMIDAZOLYLBUTANOICACID H42231131()----------,,
MDL NumberMFCD06656423
Synonym 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimidazol-1-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxo-3H-benzimid
Chemical Name Translation2-氧代-1-苯并咪唑啉丁酸
LabNetwork Molecule IDLN00148438
PubChem Substance ID13251784
InChIInChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)
Canonical SMILESO=C1NC2=CC=CC=C2N1CCCC(O)=O
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分类

  • Aliphatics
  • Aromatics
  • Heterocycles
  • {KO} CarboxylicAcids
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

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
3
Rotatable Bonds
4
LogP
3.774000000000000e-001

系列性分类

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