3-Amino-3-(4-methoxyphenyl)propanoic acid 3-氨基-3-(4-甲氧基苯基)丙酸

CAS 5678-45-5 MFCD00187209

化学结构图

5678-45-5
SMILES: COc1ccc(C(N)CC(=O)O)cc1

化学属性

Mol. FormulaC10H13NO3
Mol. Weight195.22
Melting Point230 °C
Boiling Point331.88 °C at 760 mmHg

别名和识别编码

Chemical Name3-Amino-3-(4-Methoxyphenyl)Propanoic Acid
CAS Number5678-45-5
Alfabeta NameAMINOMETHOXYPHENYLPROPANOICACID 334()----
MDL NumberMFCD00187209
PubChem Substance ID585889
Chemical Name Translation3-氨基-3-(4-甲氧基苯基)丙酸
Synonym 3-Amino-3-(4-methoxyphenyl)propanoic acid {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-methoxyphenyl)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(
LabNetwork Molecule IDLN00123466
Reaxys-RN2721821
InChIInChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
Canonical SMILESO=C(O)CC(N)C1=CC=C(OC)C=C1
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分类

  • Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {KO} beta-Amino Acids
  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect

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
4
Rotatable Bonds
4
LogP
7.048000000000000e-001

系列性分类

  1. Life Science 生命科学
  2. Antibiotics 抗生素
  3. Antibiotics A to Z - Antibiotics
  4. Antibiotics A-F - Antibiotics A to Z
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C10 - Carboxylic Acids

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