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-(4-methoxy
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
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
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P317
  • P337+P317
  • 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 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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