基本情報
- CAS
2089-46-5- 標準SMILES
Br.Br.CC(C)(c1ccccc1)c1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1- InChIKey
OEPQVKRTPFTHNA-UHFFFAOYSA-N- 分子式
- C27H40Br2N2O
- 平均分子量
- 568.4 g/mol
- 単同位体質量
- 566.15074
名称と識別子
- 優先名称
- 4-(1-Methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)phenol dihydrobromide
- IUPAC
- 4-(2-phenylpropan-2-yl)-2,6-bis(piperidin-1-ylmethyl)phenol;dihydrobromide
名称と別名
PS7EW7N6ECRo-2-58034-(1-Methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)phenol dihydrobromideRefChem:10697232089-46-52,6-Bis(1-piperidylmethyl)-4-(alpha,alpha-dimethylbenzyl)phenol dihydrobromideRo 2-58032,6-Xylenol, 4-(alpha,alpha-dimethylbenzyl)-alpha,alpha'-dipiperidino-, dihydrobromideNSC-378554-(2-phenylpropan-2-yl)-2,6-bis(piperidin-1-ylmethyl)phenol dihydrobromideNSC 37855SCHEMBL31047599
名称をさらに表示
DTXSID8013503412,6-Xylenol, 4-alpha,alpha-dimethylbenzyl-alpha,alpha'-dipiperidino-, dihydrobromide4-(1-Methyl-1-phenylethyl)-2,6-bis-(1-piperidinylmethyl)phenol dihydrobromide4-alpha,alpha-Dimethylbenzyl-alpha,alpha'-dipiperidino-2,6-xylenol dihydrobromidePhenol, 2,6-bis(piperidinomethyl)-4-(alpha,alpha-dimethylbenzyl)-, dihydrobromidePhenol, 4-(1-methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)-, dihydrobromidePhenol, 4-(1-methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)-, hydrobromide (1:2)
データベース識別子
- CAS
2089-46-5- PubChem CID
- 74972
- DTXSID
DTXSID801350341- UNII
- PS7EW7N6EC
物性
構造計算による物性
- 極性表面積
- 26.7 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 473
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…