HRID112929
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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结构与身份
- 标准SMILES
- NCCCCc1cccnc1
- InChIKey
- WSPOELFRDPKVAZ-UHFFFAOYSA-N
- 分子式
- C9H14N2
- 平均分子量
- 150.22 g/mol
- 单同位素质量
- 150.11569846
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 38.9 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 4
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 93
物化、安全与法规信息正在同步。
ALIASES
名称与别名
3-Pyridinebutanamine3-(4-Aminobutyl)pyridine3-PyridylbutylaminePyridine, 3-(4-aminobutyl)-4-(3-Pyridyl)butylamine4-(beta-Pyridyl)butylamineBRN 0117401DTXSID502089585-22-09-00443 (Beilstein Handbook Reference)RefChem:3767033-Pyridinebutanamine (9CI)DTXCID001314494-(Pyridin-3-yl)butan-1-amine6021-23-44-(3-pyridinyl)butylamine3-pyridine butanamine4-(3-pyridyl)butan-1-amineSCHEMBL2673539SCHEMBL6319382WSPOELFRDPKVAZ-UHFFFAOYSA-N
REACTIONS
参与反应
HRID140569
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看HRID196694
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看HRID197467
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看HRID206467
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看HRID652475
uspto-grants-1987_06
作为反应物
uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04672066
查看HRID652476
uspto-grants-1987_06
作为反应物
uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04672066
查看HRID652477
uspto-grants-1987_06
作为反应物
uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04672066
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