CAS 34122-28-6 4-(3-Phenylpropyl)pyridine N-oxide (HCID 688320)

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Grundinformationen

CAS: 34122-28-6
Standard-SMILES: [O-][n+]1ccc(CCCc2ccccc2)cc1
InChIKey: OOFBEJNEUVLZOW-UHFFFAOYSA-N
Summenformel: C14H15NO
Durchschnittliche Molmasse: 213,27 g/mol
Monoisotopische Masse: 213,1153641

Namen und Bezeichner

Bevorzugter Name: 4-(3-Phenylpropyl)pyridine N-oxide
IUPAC: 1-oxido-4-(3-phenylpropyl)pyridin-1-ium
Englischer Name: 4-(3-Phenylpropyl)pyridine N-oxide
Summenformel: C14H15NO
Molmasse: 213.28

Namen und Synonyme

4-(3-Phenylpropyl)pyridine N-oxide34122-28-6RefChem:513396628-690-484824-92-04-(3-Phenylpropyl)pyridine 1-oxide4-(3-Phenyl-propyl)-pyridine 1-oxide1-oxido-4-(3-phenylpropyl)pyridin-1-ium4-Phentylpropyl pyridine N-oxidePyridine, 4-(3-phenylpropyl)-, 1-oxideEINECS 284-245-0MFCD00129033

Weitere Namen anzeigen

4-PHENYLPROPYL PYRIDINE N-OXIDEPyridine, 3-(3-phenylpropyl)-, 1-oxide4-(3-Phenylpropyl)pyridine N-oxide 95%

4-phenylpropylpyridine-N-oxideSCHEMBL2259203DTXSID702338834-(3-phenylpropyl)-pyridineoxideOOFBEJNEUVLZOW-UHFFFAOYSA-N4-(3-Phenylpropyl)pyridine1-oxide4-(3-phenylpropyl)pyridine-N-oxideAKOS009166143

Datenbank-Bezeichner

CAS: 34122-28-6、84824-92-0
PubChem CID: 688320
DTXSID: DTXSID70233883
EC Number: 284-245-0、628-690-4
Nikkaji: J309.495B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 25,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-65 °C(lit.)
Siedepunkt: 397.6 · 397.6±11.0 °C(Predicted)
Dichte: 1.02 · 1.02±0.1 g/cm3(Predicted)
pka: 0.94 · 0.94±0.10(Predicted)
Aggregatzustand: solid
InChI: 1S/C14H15NO/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2
InChIKey: OOFBEJNEUVLZOW-UHFFFAOYSA-N
SMILES: [O-][n+]1ccc(CCCc2ccccc2)cc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen

Verwenden4-(3-Phenylpropyl)pyridine N-oxide may be employed as a donor ligand in the managnese-salen complex catalyzed asymmetric epoxidation of indene and styrene.