2-(piperidin-2-yl)ethan-1-ol

• ChemBase编号: 69385
• 分子式: C7H15NO
• 平均质量: 129.2001
• 单一同位素质量: 129.11536411
• SMILES: N1C(CCCC1)CCO
• Canonical SMILES: OCCC1CCCCN1
• InChI: InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2
• InChIKey: PTHDBHDZSMGHKF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(piperidin-2-yl)ethan-1-ol
• IUPAC传统名: 2-piperidineethanol
• 别名: 2-(2-羟乙基)哌啶; 2-哌啶乙醇; 2-Piperidineethanol; (+/-)-2-Piperidineethanol; 2-(2-Piperidinyl)ethanol; 2-Piperidine-2-yl-ethanol; NSC 9261; 2-Ethanolpiperidine, 95%; 2-(2-Hydroxyethyl)piperidine; 2-Piperidineethanol; 2-(piperidin-2-yl)ethanol; 2-Piperidineethanol; 2-(β-HYDROXYETHYL)PIPERIDINE

登记号

• CAS号: 1484-84-0
• EC号: 216-059-2
• MDL号: MFCD00005989
• PubChem SID: 24867148; 162035111
• PubChem CID: 15144

理论计算性质

• Acid pKa: 15.924531
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.1343083
• LogD (pH = 7.4): -2.4691408
• Log P: 0.08711246
• 摩尔折射率: 37.6633 cm^3
• 极化性: 15.038956 Å^3
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Off-White Solid
• 熔点: 38-40 °C(lit.); 40-42°C
• 沸点: 234 °C(lit.)
• 闪点: 112 °C; 233.6 °F

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3263
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 20/21/22-34
• 安全公开号: 26-27-28-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H312-H314-H332
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 2

产品相关信息

• 纯度: 90%; 95+%
• 级别: technical grade
• Empirical Formula (Hill Notation): C7H15NO
• 分类: Derivatives & analogs of Natural Compounds

详细说明

MP Biomedicals - 05206617

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 433594

包装
25 g in glass bottle
Application
Reactant for syntehsis of: Spiroimidazolidinone NPC1L1 inhibitors1 P2Y12 antagonists for inhibition of platelet aggregation2 Cyclin-dependent kinase inhibitors3 Anti-HIV agents4 Tetraponerine analogs5Reactant for cyclization of secondary homoallylic amines6

Toronto Research Chemicals - E890390

Heterocyclic compound used in cosmetic compositions.

参考文献

• Windheuser, J., et al.: J. Pharm. Sci., 71, 121 (1982)
• Davis, E., et al.: J. Med. Entomol., 22, 237 (1982)
• Osimitz, T., et al.: J. Toxicol., 35, 435 (1982)
• Ross, E., et al.: Drug Metab. Dispos., 32, 783 (1982)