2-(1-(Tert-Butoxycarbonyl)Pyrrolidin-2-Yl)Acetic Acid 2-(1-(叔丁氧基羰基)吡咯烷-2-基)乙酸

CAS 194154-91-1 MFCD02179026

化学结构图

194154-91-1
SMILES: CC(C)(C)OC(=O)N1CCCC1CC(O)=O

化学属性

Mol. FormulaC11H19NO4
Mol. Weight229.27
Melting Point112-113°
Density
Boiling Point

别名和识别编码

Chemical Name2-(1-(Tert-Butoxycarbonyl)Pyrrolidin-2-Yl)Acetic Acid
CAS Number194154-91-1
Alfabeta NameBUTOXYCARBONYLPYRROLIDINYLACETICACID TERT212[]()-----{}
MDL NumberMFCD02179026
Synonym 1-Boc-2-pyrrolidineacetic acid
PubChem Substance ID329788580
EC Number
Beilstein Registry Number
Chemical Name Translation2-(1-(叔丁氧基羰基)吡咯烷-2-基)乙酸
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分类

  • {SNA} Building Blocks, C11 to C12, Chemical Synthesis, Heterocyclic Building Blocks, Pyrrolidines
  • {KO} CarboxylicAcids
  • {KO} tBocN

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301 IF SWALLOWED: 如果吞下去
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Hazard statements
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes T,N
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R50 Very toxic to aquatic organisms 对水生生物极毒
UN Number
RTECS
Packing Group

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
4
H-bond Donors
1
LogP
1

系列性分类

  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. Pyrrolidines 吡咯烷
  5. C11 to C12 - Pyrrolidines

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