6-(4-(tert-Butoxycarbonyl)piperazin-1-yl)nicotinic acid 6-(4-(叔丁氧基羰基)哌嗪-1-基)烟酸

CAS 201809-22-5 MFCD06245543

化学结构图

201809-22-5
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=N1)C(O)=O

化学属性

Mol. FormulaC15H21N3O4
Mol. Weight307
Melting Point298-300
Density1.422

别名和识别编码

Chemical Name6-(4-(tert-Butoxycarbonyl)piperazin-1-yl)nicotinic acid
CAS Number201809-22-5
Alfabeta NameBUTOXYCARBONYLPIPERAZINONICOTINICACID TERT64[]()----
MDL NumberMFCD06245543
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 4-(5-Carboxy-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
Chemical Name Translation6-(4-(叔丁氧基羰基)哌嗪-1-基)烟酸
PubChem Substance ID329783837
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分类

  • Building Blocks, C13 to C40, C14 to C15, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Piperazines, Pyridines
  • {SNA} Building Blocks, C13 to C15, C14 to C15, Chemical Synthesis, Heterocyclic Building Blocks,

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
5
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. Piperazines 哌嗪
  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. Piperazines 哌嗪
  5. C14 to C15 - Piperazines

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