4-Amino-2-Methoxybenzoic Acid 4-氨基-2-甲氧基苯甲酸

CAS 2486-80-8 MFCD00114479

化学结构图

2486-80-8
SMILES: COc1cc(N)ccc1C(=O)O

化学属性

Mol. FormulaC8H9NO3
Mol. Weight167.16
Melting Point149-153 °C
TSCANo
Boiling Point365.9±27.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-Amino-2-Methoxybenzoic Acid
CAS Number2486-80-8
Alfabeta NameAMINOMETHOXYBENZENECARBOXYLICACID 42---
MDL NumberMFCD00114479
Synonym 4-Amino-2-methoxybenzoic acid {LY} 4-Amino-2-methoxybenzoic acid {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-2-methoxybenzoic acid {} {} {} {} {} {} {}
PubChem Substance ID75599
EC Number219-632-5
Chemical Name Translation4-氨基-2-甲氧基苯甲酸
InChIKeyOLJXRTRRJSMURJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00146891
InChIInChI=1S/C8H9NO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)
Canonical SMILESCOC1=C(C=CC(=C1)N)C(=O)O
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分类

  • {KO} Anilines
  • Aromatics
  • {KO} CarboxylicAcids
  • {SNA} Aromatic Amino Acids, Chemical Biology, Chemical Synthesis, Peptide Chemistry, Unnatural Amino Acids & Derivatives
  • {SNA} Aromatic Amino Acids, Chemical Biology, Chemical Synthesis, Peptide Chemistry, Unnatural Amino Acid Derivatives

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • P305+P351+P338
Signal word Warning
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S37 Wear suitable gloves 戴适当手套;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes Xi
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

  • MOL 文件:2486-80-8.mol
  • Alfa Aesar:4-氨基-2-甲氧基苯甲酸,97% 4-Amino-2-methoxybenzoic acid, 97%(2486-80-8)
  • 用途一:胃本的中间体。
  • Sigma Aldrich:2486-80-8(sigmaaldrich)

系列性分类


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