基本情報
- 標準SMILES
CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F- InChIKey
UQYZFNUUOSSNKT-UHFFFAOYSA-N- 分子式
- C11H16F6N5OP
- 平均分子量
- 379.24 g/mol
- 単同位体質量
- 379.09966608
名称と識別子
- 優先名称
- Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)
- IUPAC
- [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
名称と別名
625384-22-7DTXSID101335774Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)Methanaminium, N-[(1H-benzotriazol-1-yloxy)(dimethylamino)methylene]-N-methyl-, hexafluorophosphate(1-) (1:1)RefChem:1089040DTXCID601765647HBTU2-(1h-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphateo-Benzotriazol-1-yl-N,N,N',N'-tetramethyluronium hexafluorophosphateMFCD00075445N,N,N',N'-Tetramethyl-O-(1H-benzotriazol-1-yl)uronium hexafluorophosphate[benzotriazol-1-yloxy(dimethylamino)methylene]-dimethyl-ammonium hexafluorophosphate
名称をさらに表示
[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphateo-(1h-benzotriazol-1-yl)-n,n,n',n'-tetramethyluronium hexafluorophosphateO-benzotriazol-1-yl-N,N,N',N'-tetramethyluroniumhexafluorophosphateC11H16F6N5OP2-[1H-benzotriazole-1-yl]-1,1,3,3-tetramethyluronium hexafluorophosphateHBTU Reagent1-[Bis(dimethylamino)methylene]-1H-benzotriazolium Hexafluorophosphate(1-) 3-Oxide; N-HBTU;HBTU [O-Benzotriazole-N,N,N',N'-tetramethyl-uronium-hexafluoro-phosphate]
データベース識別子
- CAS
625384-22-7- PubChem CID
- 2733084
- DTXSID
DTXSID101335774
物性
構造計算による物性
- 極性表面積
- 46.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 3
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 350
関連反応
4,455 件
関連ノート
読み込み中…