基本情報
- CAS
69121-27-3- 標準SMILES
CC(=O)[O-].CCN(Cc1ccccc1)c1ccc(N=Nc2n(C)nc[n+]2C)cc1- InChIKey
SGPRNXWORCCTOU-UHFFFAOYSA-M- 分子式
- C21H26N6O2
- 平均分子量
- 394.5 g/mol
- 単同位体質量
- 394.21172409
名称と識別子
- 優先名称
- 4H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,4-dimethyl-, acetate (1:1)
- IUPAC
- N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylaniline acetate
名称と別名
69121-27-35-((4-(Ethyl(phenylmethyl)amino)phenyl)azo)-1,4-dimethyl-1H-1,2,4-triazolium acetate1H-1,2,4-Triazolium, 5-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-1,4-dimethyl-, acetate4H-1,2,4-Triazolium, 5-(2-(4-(ethyl(phenylmethyl)amino)phenyl)diazenyl)-1,4-dimethyl-, acetate (1:1)1H-1,2,4-Triazolium, 5-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-1,4-dimethyl-, acetate4H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,4-dimethyl-, acetate (1:1)RefChem:100658DTXSID70988841SGPRNXWORCCTOU-UHFFFAOYSA-M(1Z,4Z)-N-Benzyl-4-[(2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)hydrazinylidene]-N-ethylcyclohexa-2,5-dien-1-iminium acetateN-Benzyl-4-[(2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)hydrazinylidene]-N-ethylcyclohexa-2,5-dien-1-iminium acetate
データベース識別子
- CAS
69121-27-3- PubChem CID
- 112244
- DTXSID
DTXSID70988841
物性
構造計算による物性
- 極性表面積
- 89.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 440
化学と産業
用途と製造
General Manufacturing Information4H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,4-dimethyl-, acetate (1:1): INACTIVE
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…