p-Tetradecylaniline

HCID 145224CAS 91323-12-5

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCc1ccc(N)cc1
InChIKey: WKYFQPQIOXXPGE-UHFFFAOYSA-N
Summenformel: C20H35N
Durchschnittliche Molmasse: 289,5 g/mol
Monoisotopische Masse: 289,27695012

Namen und Bezeichner

Bevorzugter Name: p-Tetradecylaniline
IUPAC: 4-tetradecylaniline
Englischer Name: 4-Tetradecylaniline
Summenformel: C20H35N
Molmasse: 289.5

Namen und Synonyme

91323-12-5p-TetradecylanilineDTXSID50238518RefChem:169387DTXCID00161009WKYFQPQIOXXPGE-UHFFFAOYSA-N4-Tetradecylaniline(4-tetradecylphenyl)amine4-n-TetradecylanilinMFCD000098044-tetradecylphenylamine4-n-tetradecylaniline

Weitere Namen anzeigen

4-Tertrdecyl anilineBenzenamine, 4-tetradecyl-

4-Tetradecylanitine4-Tetradecylaniline #4-Tetradecylaniline, 97%SCHEMBL1164527TIMTEC-BB SBB0079384-TETRADECYLANILINE 97%C20H35NALBB-023973

Datenbank-Bezeichner

CAS: 91323-12-5
PubChem CID: 145224
DTXSID: DTXSID50238518
EC Number: 629-156-3
Nikkaji: J236.414J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8,3
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 13
Schwere Atome: 21
Formalladung: 0
Komplexität: 206

Physikochemische Eigenschaften

Schmelzpunkt: 46 · 46-49 °C (lit.)
Siedepunkt: 408 · 408.0±14.0 °C(Predicted)
Dichte: 0.897 · 0.897±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
pka: 4.95 · 4.95±0.10(Predicted)
Aggregatzustand: solid
InChI: 1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h15-18H,2-14,21H2,1H3
InChIKey: WKYFQPQIOXXPGE-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCc1ccc(N)cc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Tetradecylaniline has been used:as standard during the quantitative determination of trans content of fats and oils and margarine by FTIR spectroscopyto investigate the quenching of the triplet state of n-alkyl 3-nitrophenyl ethers in aqueous micellar sodium dodecyl sulfate (SDS) solutions by laser flash photolysisin amidation and esterification of oxidised single-walled carbon nanotubes (SWCNTs)