4-苯胺-1-苄基哌啶-4-羧酰胺

• 常用名: 4-苯胺-1-苄基哌啶-4-羧酰胺
• 英文名: 4-Anilino-1-benzylpiperidine-4-carboxamide
• CAS号: 1096-03-3
• 分子量: 309.40500
• 密度: 1.201g/cm3
• 沸点: 522.9ºC at 760mmHg
• 分子式: C₁₉H₂₃N₃O
• 熔点: N/A
• 闪点: 270.1ºC

4-苯胺-1-苄基哌啶-4-羧酰胺名称

• 中文名: 4-苯胺-1-苄基哌啶-4-羧酰胺
• 英文名: 4-Anilino-1-benzylpiperidine-4-carboxamide

4-苯胺-1-苄基哌啶-4-羧酰胺物理化学性质

• 密度: 1.201g/cm3
• 沸点: 522.9ºC at 760mmHg
• 分子式: C₁₉H₂₃N₃O
• 分子量: 309.40500
• 闪点: 270.1ºC
• 精确质量: 309.18400
• PSA: 58.36000
• LogP: 3.32980
• InChIKey: PUFOFCNHIWPPNN-UHFFFAOYSA-N
• SMILES: NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
• 蒸汽压: 4.95E-11mmHg at 25°C
• 折射率: 1.641
• 分子结构:

  1、 摩尔折射率：93.03

  2、 摩尔体积（cm³/mol）：257.6

  3、 等张比容（90.2K）：714.2

  4、 表面张力（dyne/cm）：59.0

  5、 极化率（10-24cm3）：36.88

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:5

  5.互变异构体数量:2

  6.拓扑分子极性表面积58.4

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:378

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.密度（g/cm³）：1.201

  2.沸点（760 mmHg,ºC）：522.9

  3.闪点（ºC）：270.1

4-苯胺-1-苄基哌啶-4-羧酰胺安全信息

• 海关编码: 2933399090

4-苯胺-1-苄基哌啶-4-羧酰胺海关

• 海关编码: 2933399090
• 中文概述: 2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-苯胺-1-苄基哌啶-4-羧酰胺靶点实验

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实验名称：Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolariz... 来源：ChEMBL 靶标：ATP-sensitive inward rectifier potassium channel 11 External Id：CHEMBL914214

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实验名称：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：ADAM10 [Homo sapiens] External Id：ADAM10_INH_QFRET_1536_1X%INH PRUN

实验名称：Identification of CBX7 inhibitors - Primary Alpha Screen 来源：15290 靶标：N/A External Id：CBX7-Alpha-primary

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：abhydrolase domain-containing protein 4 isoform 1 [Mus musculus] External Id：ABHD4_INH_FP_1536_1X%INH PRUN

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify inh... 来源：The Scripps Research Institute Molecular Screening Center 靶标：COUP transcription factor 2 isoform a [Homo sapiens] External Id：COUPTFII_INH_LUMI_1536_1X%INH PRUN

实验名称：High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS1303

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4-苯胺-1-苄基哌啶-4-羧酰胺英文别名

• MFCD00474726
• 4-anilino-1-benzylpiperidine-4-carboxamide
• EINECS 214-141-2