Pararosaniline

HCID 11293CAS 479-73-2
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Grundinformationen

Standard-SMILES
N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1
InChIKey
AFAIELJLZYUNPW-UHFFFAOYSA-N
Summenformel
C19H17N3
Durchschnittliche Molmasse
287,4 g/mol
Monoisotopische Masse
287,14224754

Überblick

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+).

Namen und Bezeichner

Bevorzugter Name
Pararosaniline
IUPAC
4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
Englischer Name
pararosaniline
Summenformel
C19H17N3
Molmasse
287.36

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,3
Polarare Oberfläche (TPSA)
75,9 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
22

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP-0.21
Collision Cross Section173.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1021247]

Physikochemische Eigenschaften

EPA chemische Informationen
9 · C.I. Basic Red 9 (479-73-2)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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.

Ergänzende Hinweise

DefinitionChEBI: 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'.

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