2-(2,2,6,6-tetramethylpiperidin-4-yl)acetic acid hydrochloride

• ChemBase编号: 144069
• 分子式: C11H22ClNO2
• 平均质量: 235.75088
• 单一同位素质量: 235.13390663
• SMILES: CC1(CC(CC(N1)(C)C)CC(=O)O)C.Cl
• Canonical SMILES: OC(=O)CC1CC(C)(C)NC(C1)(C)C.Cl
• InChI: InChI=1S/C11H21NO2.ClH/c1-10(2)6-8(5-9(13)14)7-11(3,4)12-10;/h8,12H,5-7H2,1-4H3,(H,13,14);1H
• InChIKey: KJYVYQNKXSZKFC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,2,6,6-tetramethylpiperidin-4-yl)acetic acid hydrochloride
• IUPAC传统名: (2,2,6,6-tetramethylpiperidin-4-yl)acetic acid hydrochloride
• 别名: (2,2,6,6-Tetramethylpiperidin-4-yl)acetic acid hydrochloride

登记号

• MDL号: MFCD13186186
• PubChem SID: 162238286
• PubChem CID: 16194589

理论计算性质

• Acid pKa: 4.7490864
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.0662829
• LogD (pH = 7.4): -1.009209
• Log P: -1.0091819
• 摩尔折射率: 55.7644 cm^3
• 极化性: 22.298407 Å^3
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C11H22ClNO2

详细说明

Sigma Aldrich - CBR00805

Other Notes
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