CAS 13296-04-3 4-(Pyridin-4-yl)aniline (HCID 1512654)

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Grundinformationen

CAS: 13296-04-3
Standard-SMILES: Nc1ccc(-c2ccncc2)cc1
InChIKey: GKVYVZSNXXTOMQ-UHFFFAOYSA-N
Summenformel: C11H10N2
Durchschnittliche Molmasse: 170,21 g/mol
Monoisotopische Masse: 170,08439832

Namen und Bezeichner

Bevorzugter Name: 4-(Pyridin-4-yl)aniline
IUPAC: 4-pyridin-4-ylaniline
Englischer Name: 4-(Pyridin-4-yl)aniline
Summenformel: C11H10N2
Molmasse: 170.21

Namen und Synonyme

4-(Pyridin-4-yl)aniline13296-04-3DTXSID50363753RefChem:516849DTXCID90314800674-850-14-Pyridin-4-yl-phenylamine4-pyridin-4-ylanilineBenzenamine, 4-(4-pyridinyl)-4-(4-pyridyl)anilineMFCD009700534-(4-pyridinyl)aniline

Weitere Namen anzeigen

4-(Pyridin-4-yl)4-(pyridin-4-yl)benzenaMine

4-(4-aminophenyl)pyridine4-(4-pyridinyl)benzeneamine4-(p-Aminophenyl)pyridine(4-pyridine-4-yl)aniline4-(pyridin-4-yl) anilinepyridine, 4-p-aminophenyl-4-(4-Pyridinyl)benzenamine4-(pyridin-4-yl)phenylamine

Datenbank-Bezeichner

CAS: 13296-04-3
PubChem CID: 1512654
DTXSID: DTXSID50363753
EC Number: 674-850-1
Nikkaji: J81.588H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 144

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical structure

Physikochemische Eigenschaften

Schmelzpunkt: 232 · 232-234℃
Siedepunkt: 319.1 · 319.1±17.0 °C(Predicted)
Dichte: 1.133 · 1.133
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 6.55 · 6.55±0.10(Predicted)
InChI: InChI=1S/C11H10N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H,12H2
InChIKey: GKVYVZSNXXTOMQ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C2C=CN=CC=2)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 20/21/22-36/37/38-38
hazard_code: Xi
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(4-Pyridinyl)aniline is diazotized, its product is nitrated and reduced to form 2-Amino-4-(4-pyridyl)phenol, which can increase cardiac contractility; Also, it is derived from 4-Pyridineboronic Acid (P991355), which is boronic acid derivative and their binding affinities with diols.