基本情報
- CAS
25739-74-6- 標準SMILES
CC1=CC(=C(c2ccc(N)c(C)c2)c2ccc(N)c(C)c2)C=CC1=N- InChIKey
MUFPRITXEIBEMS-UHFFFAOYSA-N- 分子式
- C22H23N3
- 平均分子量
- 329.4 g/mol
- 単同位体質量
- 329.18919775
概要
New fuchsin free base is an imine that is 2-methyl-4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-amino-3-methylphenyl groups. The hydrochloride salt is the histological dye 'new fuchsin'. It has a role as a fluorochrome and a histological dye. It is an imine and a substituted aniline. It is a conjugate base of a new fuchsin(1+).
名称と識別子
- 優先名称
- New fuchsin free base
- IUPAC
- 4-[(4-amino-3-methylphenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
名称と別名
new fuchsin free base25739-74-6New fuchsine (free base)4,4'-((4-Imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene)bis(2-methylaniline)4-[(4-amino-3-methylphenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline4,4'-[(4-Imino-3-methyl-2,5-cyclohexadien-1-ylidene)methylene]bis[2-methylbenzenamine]4,4'-[(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline)ZsorubinSCHEMBL8947530CHEMBL2007831CHEBI:87672DTXSID60863133
名称をさらに表示
NCI60_042204CS-0369908AE-641/05021062Q271598194-[(4-amino-3-methylphenyl)(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methyl]-2-methylphenylamine
データベース識別子
- CAS
25739-74-6- PubChem CID
- 18612
- DTXSID
DTXSID60863133- ChEMBL
CHEMBL2007831- ChEBI
CHEBI:87672- EC Number
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 75.9 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
- 2
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 585
関連反応
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