tetrakis(2H3)methyl(2H2)benzene

• ChemBase编号: 134969
• 分子式: C10H14
• 平均质量: 134.21816
• 单一同位素质量: 134.10955045
• SMILES: c1c(c(cc(c1C)C)C)C
• Canonical SMILES: Cc1cc(C)c(cc1C)C
• InChI: InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
• InChIKey: SQNZJJAZBFDUTD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetrakis(^2H₃)methyl(^2H₂)benzene
• IUPAC传统名: tetrakis(^2H₃)methyl(^2H₂)benzene
• 别名: 1,2,4,5-四甲基苯-d14; 1,2,4,5-Tetramethylbenzene-d14

登记号

• MDL号: MFCD00144235
• PubChem SID: 162229244
• PubChem CID: 71309014

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.0269313
• LogD (pH = 7.4): 4.0269313
• Log P: 4.0269313
• 摩尔折射率: 46.2228 cm^3
• 极化性: 17.799505 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 76-80 °C
• 密度: 0.924 g/mL
• 质量偏移: M+14

产品相关信息

• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 148.03 by atom % calculation
• Empirical Formula (Hill Notation): C10D14

详细说明

Sigma Aldrich - 616451

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.