Methyl-(2-methyl-3,4,5,6-tetrahydro-2H-[1,4]bipyridinyl-3'-yl)-amine trifluoroacetic acid salt
基本情報
- 標準SMILES
CNc1cnccc1N1CCCCC1C.O=C(O)C(F)(F)F- InChIKey
BVJLTOSLLKAJHX-UHFFFAOYSA-N- 分子式
- C14H20F3N3O2
- 平均分子量
- 319.32 g/mol
- 単同位体質量
- 319.15076138
名称と識別子
- 優先名称
- Methyl-(2-methyl-3,4,5,6-tetrahydro-2H-[1,4]bipyridinyl-3'-yl)-amine trifluoroacetic acid salt
- IUPAC
- N-methyl-4-(2-methylpiperidin-1-yl)pyridin-3-amine;2,2,2-trifluoroacetic acid
名称と別名
Methyl-(2-methyl-3,4,5,6-tetrahydro-2H-[1,4]bipyridinyl-3'-yl)-amine trifluoroacetic acid saltSCHEMBL12098082methyl-(2-methyl-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-3'-yl)-amine TFA saltmethyl-(2-methyl-3,4,5,6-tetrahydro-2H-[1,4]bipyridinyl-3'-yl)-amine TFA saltMethyl-(2-methyl-3,4,5,6-tetrahydro-2H[1,4']bipyridinyl-3'-yl)-amine trifluoroacetic acidMethyl-(2-methyl-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-3'-yl)-amine trifluoroacetic acid salt
データベース識別子
- PubChem CID
- 70663603
物性
構造計算による物性
- 極性表面積
- 65.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 2
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 279
関連反応
4 件
化合物ノート
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