1-[(1,2-13C2)pentan-2-yl]naphthalene

• ChemBase编号: 135140
• 分子式: C15H18
• 平均质量: 200.28872968
• 单一同位素质量: 200.14756025
• SMILES: CCC[13CH]([13CH3])c1cccc2c1cccc2
• Canonical SMILES: CCC[13CH](c1cccc2c1cccc2)[13CH3]
• InChI: InChI=1S/C15H18/c1-3-7-12(2)14-11-6-9-13-8-4-5-10-15(13)14/h4-6,8-12H,3,7H2,1-2H3/i2+1,12+1
• InChIKey: MXJUSBINYALFBD-YZGYIGAXSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(1,2-^1^3C₂)pentan-2-yl]naphthalene
• IUPAC传统名: 1-[(1,2-^1^3C₂)pentan-2-yl]naphthalene
• 别名: 2-(1-萘基)戊烷-1,2-13C2; 2-(1-Naphthyl)pentane-1,2-13C2

登记号

• MDL号: MFCD04118165
• PubChem SID: 162229415
• PubChem CID: 71309109

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.096869
• LogD (pH = 7.4): 5.096869
• Log P: 5.096869
• 摩尔折射率: 65.901 cm^3
• 极化性: 27.193733 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 质量偏移: M+2

产品相关信息

• 同位素纯度: 99 atom % 13C
• Mol. Weight: mol wt 200.29 by atom % calculation
• Empirical Formula (Hill Notation): 13C2C13H18

详细说明

Sigma Aldrich - 604429

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.