4,4'-[(4-イミノ-2,5-シクロヘキサジエニリデン)メチレン]ビス(アニリン)

Pararosaniline

HCID 11293CAS 479-73-2

基本情報

標準SMILES: N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1
InChIKey: AFAIELJLZYUNPW-UHFFFAOYSA-N
分子式: C19H17N3
平均分子量: 287.4 g/mol
単同位体質量: 287.14224754

概要

Pararosaniline free base is an imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-aminophenyl groups. The hydrochloride salt is the histological dye 'pararosaniline'. 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 pararosaniline(1+).

名称と識別子

優先名称: Pararosaniline
IUPAC: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
現地名: 4,4'-[(4-イミノ-2,5-シクロヘキサジエニリデン)メチレン]ビス(アニリン)
英語名: pararosaniline
分子式: C19H17N3
分子量: 287.36

名称と別名

Homolka's Base20N4C0M8NM4-((4-AMINOPHENYL)(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)BENZENAMINE4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)benzeneamine monohydrochlorideCHEBI:87663RefChem:928586ALPHA-(P-AMINOPHENYL)-ALPHA-(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)-P-TOLUIDINEalpha-(4-aminophenyl)-alpha-(4-imino-2,5-cyclohexadien-1-ylidene)-4-toluidine monohydrochlorideBasic Red 9Pararosaniline479-73-24-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline

名称をさらに表示

4-[ビス(4-アミノフェニル)メチレン]-2,5-シクロヘキサジエン-1-イミン4,4'-[(4-イミノ-2,5-シクロヘキサジエン-1-イリデン)メチレン]ビスベンゼンアミン4,4'-[(4-イミノ-2,5-シクロヘキサジエニリデン)メチレン]ビス(アニリン)4-[(4-アミノフェニル)(4-イミノ-2,5-シクロヘキサジエン-1-イリデン)メチル]ベンゼンアミン4,4′-[(4-イミノ-2,5-シクロヘキサジエン-1-イリデン)メチレン]ビスベンゼンアミン4-[(4-アミノフェニル)(4-イミノシクロヘキサ-2,5-ジエン-1-イリデン)メチル]アニリン4,4′-[(4-イミノ-2,5-シクロヘキサジエニリデン)メチレン]ビス(アニリン)4,4′-(4-イミノ-2,5-シクロヘキサジエン-1-イリデンメチレン)ビスアニリン4,4′-[(4-イミノ-2,5-シクロヘキサジエン-1-イリデン)メチレン]ビス(アニリン)C005409pararosaniline free basePararosaniline monoacetatePararosaniline monohydroiodidePararosaniline monohydrochloride4-[Bis(4-aminophenyl)methylene]-2,5-cyclohexadien-1-imine4,4'-[(4-Imino-2,5-cyclohexadienylidene)methylene]bis(aniline)Benzenamine, 4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-

MLS002701900ParasanilineParaMagentap-Rosaniline HClSMR001565485NSC10460Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-UNII-20N4C0M8NM

データベース識別子

CAS: 479-73-2
PubChem CID: 11293
DTXSID: DTXSID5043845
ChEMBL: CHEMBL1368322
ChEBI: CHEBI:75372
UNII: 20N4C0M8NM
EC Number: 610-397-8
Nikkaji: J1.541E

物性

構造計算による物性

XLogP: 3.3
極性表面積: 75.9 Å²
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: 22
形式電荷: 0
複雑度: 457

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP-0.21

Collision Cross Section173.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1021247]

物理化学的性質

EPAの化学物質情報: 9 · C.I. Basic Red 9 (479-73-2)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Agents employed in the preparation of histologic or pathologic specimens for the purpose of maintaining the existing form and structure of all of the constituent elements. Great numbers of different agents are used; some are also decalcifying and hardening agents. They must quickly kill and coagulate living tissue.

Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.

補足説明

定義ChEBI: An imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-aminophenyl groups. The hydrochloride salt is the histological dye 'pararosaniline'.