4-[3-(piperidin-4-yl)propyl]piperidine

• ChemBase编号: 52417
• 分子式: C13H26N2
• 平均质量: 210.35894
• 单一同位素质量: 210.20959884
• SMILES: C(CCC1CCNCC1)C1CCNCC1
• Canonical SMILES: C(CC1CCNCC1)CC1CCNCC1
• InChI: InChI=1S/C13H26N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h12-15H,1-11H2
• InChIKey: OXEZLYIDQPBCBB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[3-(piperidin-4-yl)propyl]piperidine
• IUPAC传统名: 4-[3-(piperidin-4-yl)propyl]piperidine
• 别名: 1,3-二(4-哌啶)丙烷; 4,4′-三亚甲基二哌啶; 1,3-Bis(4-piperidyl)propane; 4,4'-(1,3-Propanediyl)bispiperidine; 4,4'-Trimethylenedipiperidine; 1,3-Bis(4-piperidinyl)propane; 1,3-bis-4-PIPERIDYL PROPANE; 1,3-Bis(4-piperidyl)propane; 1,3-Di-4-piperidylpropane; 4,4′-Trimethylenedipiperidine; 1,3-Di(4-piperidyl)propane; 4-[3-(4-piperidyl)propyl]piperidine; 4-[3-(piperidin-4-yl)propyl]piperidine

登记号

• CAS号: 16898-52-5
• EC号: 240-941-6
• MDL号: MFCD00038013
• Beilstein号: 111615
• PubChem SID: 162057180; 24847452
• PubChem CID: 85631

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.593321
• LogD (pH = 7.4): -3.6806886
• Log P: 1.8698562
• 摩尔折射率: 65.5668 cm^3
• 极化性: 26.303617 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 63-68°C; 65-68.5 °C(lit.); 66 - 68°C; 66°C
• 沸点: 327°C
• 闪点: >110°C(230°F)
• 疏水性(logP): 2.743

安全信息

• 保存注意事项: Hygroscopic; IRRITANT
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 22-37/38-41; 36/37/38
• 安全公开号: 26-36/37/39; 26-37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H315-H335-H318; H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 97%; 97+%
• Empirical Formula (Hill Notation): C13H26N2

详细说明

MP Biomedicals - 05222935

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 121207

包装
100, 500 g in poly bottle
Application
Reactant for synthesis of:
• Tumoral pH-responsive polymeric micelles1
• Acetal modified dextran microparticles2
• Hydrogels3
• Functionalized tetrazoles4
• Anticonvulsant agents5