3-Aminoisonicotinic Acid 3-氨基异烟酸

CAS 7579-20-6 MFCD00137840

化学结构图

7579-20-6
SMILES: Nc1cnccc1C(=O)O

化学属性

Mol. FormulaC6H6N2O2
Mol. Weight138.12
Melting Point300°C
Density1.422
TSCANo
Boiling Point497.1±30.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-Aminoisonicotinic Acid
CAS Number7579-20-6
Alfabeta NameAMINOISONICOTINICACID 3-
MDL NumberMFCD00137840
EC Number250-023-7
Beilstein Registry Number22(5)13,630
Synonym 3-Aminoisonicotinic acid {LY} 3-Aminoisonicotinic acid {} {LY} 3-Aminoisonicotinic acid {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminoisonicotinic acid {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation3-氨基异烟酸
Reaxys-RN383674
PubChem Substance ID459531
LabNetwork Molecule IDLN00007853
InChIInChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)
Canonical SMILESO=C(C1=C(N)C=NC=C1)O
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {KO} CarboxylicAcids
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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；
  • S36/37/39 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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
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。
  • 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。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
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
Hazard Codes Xi
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Store at room temperature {} {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, pr

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
1
H-bond Donors
2
LogP
1.148000000000000e-001

其他信息

  • MOL 文件:7579-20-6.mol
  • Acros Organics:3-氨基异烟酸 3-aminoisonicotinic acid(7579-20-6)
  • 上游原料:氢氧化钠 --> 乙酸 --> 溴 --> 乙酐 --> 乙酰胺 --> 3,4-吡啶二羧酸
  • Hazard Note:Irritant
  • 外观性质:棕色固体。熔点：287-291°C
  • 检测方法:HPLC
  • TCI Shanghai:3-氨基异烟酸 3-Aminoisonicotinic Acid,>;98.0%(LC)(T)(7579-20-6)
  • 下游产品:3-氨基-2-氯-4-吡啶碳酰胺 --> 3-氨基-2-氯-吡啶-4-羧酸甲酯
  • 3-氨基-4-吡啶羧酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010083 3-氨基-4-吡啶羧酸 1g 520元 2011/04/16 A2133 3-氨基异烟酸 3-Aminoisonicotinic Acid 1G 2640元 2010/06/21 SP00054EA 3-氨基-4-吡啶羧酸 3-aminoisonicotinic acid 10 GR 4980元
  • Alfa Aesar:3-氨基吡啶-4-羧酸,95% 3-Aminopyridine-4-carboxylic acid, 95%(7579-20-6)

系列性分类

  1. C6 to C7 - Pyridines
  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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