Methyl 4-amino-3-methylbenzoate 4-氨基-3-甲基苯甲酸甲酯

CAS 18595-14-7 MFCD00102230

化学结构图

18595-14-7
SMILES: CC1=CC=C(C=C1N)C(=O)OC

化学属性

Mol. FormulaC9
Mol. Weight165
Melting Point118-122
TSCANo

别名和识别编码

Chemical NameMethyl 4-amino-3-methylbenzoate
CAS Number18595-14-7
Alfabeta NameMETHYLAMINOMETHYLBENZENECARBOXYLATE 43---
MDL NumberMFCD00102230
Synonym 4-Amino-3-methylbenzoic acid methyl ester Methyl 4-amino-3-methylbenzoate
Reaxys-RN2830706
Beilstein Registry Number2830706
PubChem Substance ID125307703
Chemical Name Translation4-氨基-3-甲基苯甲酸甲酯
LabNetwork Molecule IDLN00008048
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分类

  • {KO} Anilines
  • {KO} Esters
  • {SNA} Amines, Building Blocks, C9, Chemical Synthesis, Ethers, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds

安全信息

Warnings IRRITANT
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • 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
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
GHS Symbol
WGK Germany3
Hazard Codes Xn

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
2
Rotatable Bonds
2
H-bond Donors
1
LogP
1

系列性分类


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