2,2-dimethyl-N-[2-(trimethylstannyl)phenyl]propanamide

• ChemBase编号: 179263
• 分子式: C14H23NOSn
• 平均质量: 340.03952
• 单一同位素质量: 341.08015836
• SMILES: c1cccc(c1NC(=O)C(C)(C)C)[Sn](C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccccc1[Sn](C)(C)C
• InChI: InChI=1S/C11H14NO.3CH3.Sn/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;;;;/h4-7H,1-3H3,(H,12,13);3*1H3
• InChIKey: NTZBAVMPZDTASG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-dimethyl-N-[2-(trimethylstannyl)phenyl]propanamide
• IUPAC传统名: 2,2-dimethyl-N-[2-(trimethylstannyl)phenyl]propanamide
• 别名: 2-Trimethylstannyl Pivaloylaminobenzene; 2-Trimethylstannyl N-Phenylpivalamide; 2-Trimethylstannyl N-Phenyltrimethylacetamide; 2-Trimethylstannyl N-Pivaloylaniline

登记号

• PubChem SID: 164235173
• PubChem CID: 71752842

理论计算性质

• Acid pKa: 14.445753
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.0124
• LogD (pH = 7.4): 3.0124
• Log P: 3.0124
• 摩尔折射率: 70.687 cm^3
• 极化性: 31.639015 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: White Solid