3-Amino-3-(4-hydroxyphenyl)propanoic acid 3-氨基-3-(4-羟基苯基)丙酸

CAS 6049-54-3 MFCD00181810

化学结构图

6049-54-3
SMILES: NC(CC(=O)O)c1ccc(O)cc1

化学属性

Mol. FormulaC9H11NO3
Mol. Weight181.19
Melting Point193-195 °C

别名和识别编码

Chemical Name3-Amino-3-(4-hydroxyphenyl)propanoic acid
CAS Number6049-54-3
Alfabeta NameAMINOHYDROXYPHENYLPROPANOICACID 334()----
MDL NumberMFCD00181810
Synonym 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-hydroxyphenyl)propanoic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Amino-3-(4-h
Chemical Name Translation3-氨基-3-(4-羟基苯基)丙酸
LabNetwork Molecule IDLN00141274
Canonical SMILESC1=C(C=CC(=C1)O)C(CC(=O)O)N
PubChem Substance ID440311
InChIInChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
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分类

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

安全信息

Warnings IRRITANT
Storage condition RT, protect from light, stored under nitrogen {LY} RT, protect from light, stored under nitrogen {} {LY} RT, protect from light, stored under nitrogen {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {}
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
3
H-bond Acceptors
4
Rotatable Bonds
3
LogP
6.730999999999999e-001

系列性分类

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