Methyl 6-aminonicotinate 6-氨基烟酸甲酯

CAS 36052-24-1 MFCD00797844

化学结构图

36052-24-1
SMILES: COC(=O)C1C=CC(N)=NC=1

化学属性

Mol. FormulaC7H8N2O2
Mol. Weight152.15
Melting Point158.0 to 162.0 deg-C
Density1.422
TSCANo

别名和识别编码

Chemical NameMethyl 6-aminonicotinate
CAS Number36052-24-1
Alfabeta NameMETHYLAMINONICOTINATE 6-
MDL NumberMFCD00797844
Synonym 6-Aminopyridine-3-carboxylic Acid Methyl Ester 6-Aminonicotinic acid methyl ester 2-氨基-5-吡啶羧酸甲酯 6-氨基烟酸甲酯 Methyl 6-aminonicotinate 6-Aminonicotinic acid methyl ester Methyl 2-amino-5-pyridinecarboxylate
PubChem Substance ID125307490
EC Number250-023-7
Beilstein Registry Number22(5)13,617
Reaxys-RN128641
Chemical Name Translation6-氨基烟酸甲酯
LabNetwork Molecule IDLN00008018
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分类

  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • Heterocycles
  • Amines
  • {KO} Esters
  • {KO} AminesPrimary

产品应用

  • Used in ointments for treatment of psoriasis.

相关文献及参考

  • Wetterau, J., et al.: Biochim. Biophys Acta, 1345, 136 (1997),

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • P302+P352+P332+P313+P362+P364
  • 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
  • P332+P313
  • P305+P351+P338+P337+P313
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
Signal word
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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

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
1
LogP
3.802000000000000e-001

系列性分类

  1. C8 to C9 - Pyridines
  1. C6
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyridines 吡啶

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