Isonipecotic Acid 4-哌啶甲酸

CAS 498-94-2 MFCD00006004

化学结构图

498-94-2
SMILES: O=C(O)C1CCNCC1

化学属性

Mol. FormulaC6H11NO2
Mol. Weight129.16
Melting Point>300°C
TSCAT
Density1.125
Solubility可溶
Stability对光敏感
pH:A
Boiling Point239.22 °C at 760 mmHg

别名和识别编码

Chemical NameIsonipecotic Acid
CAS Number498-94-2
Alfabeta NamePIPERIDINECARBOXYLICACID 4--
MDL NumberMFCD00006004
EC Number207-872-3
Beilstein Registry Number112553
Synonym Isonipecotic acid {LY} Isonipecotic acid {} {LY} Isonipecotic acid {} {} {LY} Isonipecotic acid {} {} {} {LY} Isonipecotic acid {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isonipecotic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Is
PubChem Substance ID3773
Merck Number5189
Reaxys-RN112553
Chemical Name Translation4-哌啶甲酸
LabNetwork Molecule IDLN00121646
InChIInChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
Canonical SMILESO=C(C1CCNCC1)O
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分类

  • {SNA} Building Blocks, C5 to C7, Chemical Synthesis, Heterocyclic Building Blocks, Piperidines

相关文献及参考

  • Merck: 14,5189 Beilstein:22,10
  • Merck: 14,5189

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 Wear suitable protective clothing 穿戴适当的防护服;
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
RTECSNS5150000
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
Hazard Codes Xi
Storage condition 2-8°C {LY} 2-8°C Store at 0-5°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 23,1343,1968

其他信息

  • 4-哌啶甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010321 4-哌啶甲酸 25g 160元 2011/04/16 I0256 异哌啶酸 4-Piperidinecarboxylic Acid 25G 446元 2011/04/16 I0256 异哌啶酸 4-Piperidinecarboxylic Acid 500G 3800元
  • MSDS 信息:4-Piperidinecarboxylic acid(498-94-2).msds
  • 海关编码:29333999
  • Hazard Note:Irritant
  • 用途一:用作医药中间体
  • TCI Shanghai:4-哌啶甲酸 Isonipecotic Acid,>;98.0%(T)(498-94-2)
  • TSCA:T
  • MOL 文件:498-94-2.mol
  • 图谱信息:4-哌啶甲酸(498-94-2)质谱(MS) 4-哌啶甲酸(498-94-2)红外图谱(IR2) 4-哌啶甲酸(498-94-2)红外图谱(IR1)
  • 检测方法:HPLC,T,NMR
  • Alfa Aesar:六氢烟碱酸,98% Isonipecotic acid, 98%(498-94-2)
  • 下游产品:4-苄基哌啶 --> 1-叔丁氧羰基-4-氨甲基哌啶 --> 4-叔丁氧羰基氨基哌啶 --> 哌啶(4-哌啶)甲烷酮 --> 4-氰基哌啶 --> 4-(溴甲基)哌啶甲酸苄酯 --> 6-氟-3-(4-哌啶基)-1,2 苯并异唑 --> 4-Boc-氨甲基哌啶 --> 1-叔丁氧羰基哌啶-4-甲醛 --> 1-叔丁氧羰酰哌啶-4-羧酸 --> 4-氨基-1-甲基哌啶 --> 1,4-二乙酰基哌啶 --> N-Boc-4-氰基哌啶 --> 1-甲基哌啶-4-甲酸盐酸 --> N-乙酰基哌啶-4-酰氯 --> 1-甲基哌啶-4-甲酸 --> 1-乙酰基-4-哌啶甲酸 --> 1-Boc-4-哌啶甲酸 --> N-Cbz-哌啶-4-羧酸
  • 溶于水,微溶于甲醇,不溶于乙醇。
  • Acros Organics:4-哌啶甲酸 Isonipecotic acid, 99%(498-94-2)
  • Sigma Aldrich:498-94-2(sigmaaldrich)

系列性分类


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