3-Hydroxyphenyltrimethylammonium iodide

HCID 17250CAS 2498-27-3

基本情報

標準SMILES: C[N+](C)(C)c1cccc(O)c1.[I-]
InChIKey: KNPHMCQIKGHPRU-UHFFFAOYSA-N
分子式: C9H14INO
平均分子量: 279.12 g/mol

名称と識別子

優先名称: 3-Hydroxyphenyltrimethylammonium iodide
IUPAC: (3-hydroxyphenyl)-trimethylazanium iodide

名称と別名

3-Hydroxyphenyltrimethylammonium IodideRefChem:9114212498-27-33-Hydroxy-N,N,N-trimethylbenzenaminium iodide(3-hydroxyphenyl)-trimethylazanium;iodideCHEMBL37773Neostigmine EP Impurity A Iodide3-(Trimethylammonio)phenol iodidem-(Dimethylamino)phenol methiodide3-Oxyphenyl trimethylammonium iodide(m-Hydroxyphenyl)trimethylammonium iodideBenzenaminium, 3-hydroxy-N,N,N-trimethyl-, iodide

名称をさらに表示

AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, IODIDEstarbld0014264SCHEMBL29488102KNPHMCQIKGHPRU-UHFFFAOYSA-Nm-hydroxyphenyltrimethylammonium iodidephenol, 3-trimethylammonio-, iodide-Neostigmine Bromide EP Impurity A Iodide3-hydroxy-N,N,N-trimethylanilinium iodide

データベース識別子

CAS: 2498-27-3
PubChem CID: 17250
ChEMBL: CHEMBL37773

物性

構造計算による物性

極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 128