4-(piperidin-4-yl)morpholine

• ChemBase编号: 24607
• 分子式: C9H18N2O
• 平均质量: 170.25202
• 单一同位素质量: 170.14191321
• SMILES: N1(C2CCNCC2)CCOCC1
• Canonical SMILES: N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C9H18N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2
• InChIKey: YYBXNWIRMJXEQJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(piperidin-4-yl)morpholine
• IUPAC传统名: 4-(piperidin-4-yl)morpholine
• 别名: 4-吗啉哌啶; 4-(Morpholin-4-yl)piperidine; 4-(Piperidin-4-yl)morpholine 98+%; 4-Piperidin-4-ylmorpholine; 4-(4-Piperidinyl) morpholine; 4-Morpholinopiperidine; 4-(Piperidin-4-yl)Morpholine; 4-Morpholinopiperidine

登记号

• CAS号: 53617-35-9
• MDL号: MFCD03274733
• PubChem SID: 160987914; 24880906
• PubChem CID: 795724

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.6435723
• LogD (pH = 7.4): -3.1279662
• Log P: -0.3845728
• 摩尔折射率: 49.219 cm^3
• 极化性: 19.593437 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 40-43 °C(lit.); 40-43°C
• 沸点: 100-115 °C/0.15-0.20 mmHg(lit.); 100-115°C/0.15mm

安全信息

• 保存注意事项: Harmful/Irritant/Air Sensitive/Store under Argon; IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C9H16N2O

详细说明

Sigma Aldrich - 578045

包装
1, 5 g in glass bottle
Application
Reactant for synthesis of:
• Selective adenosine A2A receptor antagonists1
• Antidepressents2
• Small molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cells3
• Orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation4
• Quinoline derivatives with antimicrobial activity5
• Antimalarials6