ethynyl(2H3)methyl[1-(pyridin-3-yl)propan-2-yl]amine

• ChemBase编号: 177054
• 分子式: C11H14N2
• 平均质量: 174.24226
• 单一同位素质量: 174.11569846
• SMILES: c1ccncc1CC(N(C#C)C)C
• Canonical SMILES: C#CN(C(Cc1cccnc1)C)C
• InChI: InChI=1S/C11H14N2/c1-4-13(3)10(2)8-11-6-5-7-12-9-11/h1,5-7,9-10H,8H2,2-3H3
• InChIKey: KDNROKOBMXMJEY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethynyl(^2H₃)methyl[1-(pyridin-3-yl)propan-2-yl]amine
• IUPAC传统名: ethynyl(^2H₃)methyl[1-(pyridin-3-yl)propan-2-yl]amine
• 别名: N-Ethynyl-N-(methyl-d3)-α-methyl-(3-pyridinyl)ethanamine; N-Ethynyl-(N-methyl-d3)-α-methyl-3-pyridineethanamine; 3-Propyl-2'-(N-methyl-N-ethynylamino)pyridine-d3Discontinued

登记号

• PubChem SID: 164232964
• PubChem CID: 71751854

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.3319708
• LogD (pH = 7.4): 0.49276716
• Log P: 1.5773
• 摩尔折射率: 52.9039 cm^3
• 极化性: 20.449696 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P838262

Labelled derivative the azadeprenyl (A797200) analogue.