Oxazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodide (1:1)
基本情報
- CAS
27822-88-4- 標準SMILES
CN(C)c1ccc(C=CC2=[N+](C)C(C)(CO)CO2)cc1.[I-]- InChIKey
XECUJUNLRMTVLP-UHFFFAOYSA-M- 分子式
- C16H23IN2O2
- 平均分子量
- 402.27 g/mol
- 単同位体質量
- 402.08043
名称と識別子
- 優先名称
- Oxazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodide (1:1)
- IUPAC
- [2-[2-[4-(dimethylamino)phenyl]ethenyl]-3,4-dimethyl-5H-1,3-oxazol-3-ium-4-yl]methanol iodide
名称と別名
27822-88-4DTXSID70885402Oxazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodideOxazolium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodide (1:1)Oxazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodide (1:1)2-Oxazolinium, 2-(p-(dimethylamino)styryl)-4-(hydroxymethyl)-3,4-dimethyl-, iodideOxazolium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodideRefChem:168870DTXCID101024785XECUJUNLRMTVLP-UHFFFAOYSA-M2-{2-[4-(Dimethylamino)phenyl]ethen-1-yl}-4-(hydroxymethyl)-3,4-dimethyl-4,5-dihydro-1,3-oxazol-3-ium iodide
データベース識別子
- CAS
27822-88-4- PubChem CID
- 119624
- DTXSID
DTXSID70885402
物性
構造計算による物性
- 極性表面積
- 35.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 395
化学と産業
用途と製造
General Manufacturing InformationOxazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-4-(hydroxymethyl)-3,4-dimethyl-, iodide (1:1): INACTIVE
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