3-Amino-3-(3-nitrophenyl)propanoic acid 3-氨基-3-(3-硝基苯基)丙酸

CAS 5678-47-7 MFCD00472612

化学结构图

5678-47-7
SMILES: NC(CC(=O)O)c1cccc([N+](=O)[O-])c1

化学属性

Mol. FormulaC9H10N2O4
Mol. Weight210.19
Melting Point213-215 °C
Boiling Point384.5±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-Amino-3-(3-Nitrophenyl)Propanoic Acid
CAS Number5678-47-7
Alfabeta NameAMINONITROPHENYLPROPANOICACID 333()----
MDL NumberMFCD00472612
Synonym 3-Amino-3-(3-nitrophenyl)propanoicacid {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(3-nitrophenyl)propano
Chemical Name Translation3-氨基-3-(3-硝基苯基)丙酸
LabNetwork Molecule IDLN00147710
PubChem Substance ID237320
InChIInChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)
Canonical SMILESC1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)O)N
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分类

  • {KO} Nitros
  • {KO} AminesPrimary
  • {KO} CarboxylicAcids
  • {KO} beta-Amino Acids

安全信息

Warnings IRRITANT
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
5
Rotatable Bonds
3
LogP
9.111000000000000e-001

其他信息

  • MOL 文件:5678-47-7.mol

系列性分类

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