alumanyl 2-aminoacetate dihydrate

• ChemBase编号: 1195
• 分子式: C2H8AlNO4
• 平均质量: 137.070758
• 单一同位素质量: 137.02687137
• SMILES: [Al]OC(=O)CN.O.O
• Canonical SMILES: NCC(=O)O[Al].O.O
• InChI: InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+1;;/p-1
• InChIKey: RBNPZEHAODHBPZ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: alumanyl 2-aminoacetate dihydrate
• IUPAC传统名: alumanyl 2-aminoacetate dihydrate
• 别名: Dihydroxyaluminium

登记号

• CAS号: 13682-92-3
• PubChem SID: 160964657; 46505934
• PubChem CID: 18502861

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.1983184
• LogD (pH = 7.4): 0.28276017
• Log P: 0.4902
• 摩尔折射率: 15.0758 cm^3
• 极化性: 8.59894 Å^3
• 极化表面积: 52.32 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

• 疏水性(logP): -1.85 [YOKEL,RA & MCNAMARA,PJ (1988)]

详细说明

DrugBank - DB01375

• Drug Groups: approved
• Description: Aluminium monostearate is an organic compound which is a salt of stearic acid and aluminium. It has the molecular formula Al(OH)2C18H35O2. It is also referred to as dihydroxyaluminium or dihydroxy(stearato)aluminium.; ; It is used to form gels in the packaging of pharmaceuticals, and in the preparation of colors for cosmetics. It is usually safe in commercial products, but aluminium may accumulate in the body.
• External Links: Wikipedia