基本情報
- CAS
52830-80-5- 標準SMILES
CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3ccccc32)c(C)c1- InChIKey
YEWGFFJIKYOBSD-UHFFFAOYSA-N- 分子式
- C29H35N3O2
- 平均分子量
- 457.6 g/mol
- 単同位体質量
- 457.27292736
名称と識別子
- 優先名称
- 1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-
- IUPAC
- 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
名称と別名
52830-80-51(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-SCHEMBL11438894DTXSID90886017NS000580262,4-bis(dimethylamino)-phenyl-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-(2,4-bis(dimethylamino)-phenyl)-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-(2,4-bis(dimethylamino)phenyl)-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-[2,4-Bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1(3H)-one
データベース識別子
- CAS
52830-80-5- PubChem CID
- 23343365
- DTXSID
DTXSID90886017- EC Number
- 258-213-1
- Nikkaji
- J295.815E
物性
構造計算による物性
- XLogP
- 6
- 極性表面積
- 36 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 7
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 693
化学と産業
用途と製造
General Manufacturing Information1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-: INACTIVE
関連反応
8 件
化合物ノート
読み込み中…