Methyl 3-Amino-4-Hydroxybenzoate 3-氨基-4-羟基苯甲酸甲酯

CAS 536-25-4 MFCD00017095

化学结构图

536-25-4
SMILES: COC(=O)c1ccc(O)c(N)c1

化学属性

Mol. FormulaC8H9NO3
Mol. Weight167.16
Melting Point141-143°C
Density
Boiling Point326.8°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 3-Amino-4-Hydroxybenzoate
CAS Number536-25-4
Alfabeta NameMETHYLAMINOHYDROXYBENZENECARBOXYLATE 34---
MDL NumberMFCD00017095
Synonym Orthocaine {LY} Orthocaine {} {LY} Orthocaine {} {} {LY} Orthocaine {} {} {} {LY} Orthocaine {} {} {} {} {LY} Orthocaine {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Orthocaine {} {} {} {} {} {} {} {} {}
EC Number208-627-3
Chemical Name Translation3-氨基-4-羟基苯甲酸甲酯
Wiswesser Line NotationZR DQ EVO1
Beilstein Registry Number0608715
LabNetwork Molecule IDLN00149540
PubChem Substance ID10815
InChIInChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3
Canonical SMILESCOC(C1=CC(N)=C(O)C=C1)=O
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分类

  • {KO} ArylOHs
  • {KO} Anilines
  • Miscellaneous Reagents
  • {SNA} Amines, Building Blocks, C6 to C8, C8, Chemical Synthesis, Ethers, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds, Phenols
  • Amines
  • {KO} Esters
  • Intermediates
  • Aromatics

产品应用

  • Anesthetic (topical).

相关文献及参考

  • Olson, L., et al.: J. Imaging Sci. Technol., 51, 217 (2007),

安全信息

Warnings IRRITANT
Hazard Codes Xi Xn
RTECSDG2750000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

GHS Symbol
WGK Germany3
Signal word Warning
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
UN Number
Safety Statements
Precautionary statements
Packing Group
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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 Acceptors
3
Rotatable Bonds
2
H-bond Donors
2
LogP
7.091000000000000e-001

其他信息

  • 急性毒性:口服-狗LDL0:1000 毫克/公斤; 腹腔-狗LDL0: 250 毫克/公斤
  • 储运特性:库房通风低温干燥
  • 毒性分级:中毒
  • Hazard Note:Irritant
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • MOL 文件:536-25-4.mol
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • 类别:有毒物品

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C6 to C8 - Phenols

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