3-(4-chlorophenyl)piperidine

• ChemBase编号: 144003
• 分子式: C11H14ClN
• 平均质量: 195.68856
• 单一同位素质量: 195.08147713
• SMILES: c1cc(ccc1C1CCCNC1)Cl
• Canonical SMILES: Clc1ccc(cc1)C1CCCNC1
• InChI: InChI=1S/C11H14ClN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2
• InChIKey: GLXKIKPTKUQMAP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4-chlorophenyl)piperidine
• IUPAC传统名: 3-(4-chlorophenyl)piperidine
• 别名: 3-(4-Chlorophenyl)piperidine; 3-(4-chlorophenyl)piperidine

登记号

• CAS号: 55989-13-4
• MDL号: MFCD09055235
• PubChem SID: 162238220
• PubChem CID: 20364575

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.45997497
• LogD (pH = 7.4): 0.22308873
• Log P: 2.7603092
• 摩尔折射率: 56.2068 cm^3
• 极化性: 22.11552 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C11H14ClN

详细说明

Sigma Aldrich - CBR00403

Other Notes
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