4-(Pyrrolidin-2-yl)pyridine
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Grundinformationen
- CAS
128562-25-4- Standard-SMILES
c1cc(C2CCCN2)ccn1- InChIKey
GDGNPIOGJLCICG-UHFFFAOYSA-N- Summenformel
- C9H12N2
- Durchschnittliche Molmasse
- 148,2 g/mol
- Monoisotopische Masse
- 148,10004839
Namen und Bezeichner
- Bevorzugter Name
- 4-(Pyrrolidin-2-yl)pyridine
- IUPAC
- 4-pyrrolidin-2-ylpyridine
- Englischer Name
- 4-Pyrrolidin-2-ylpyridine
- Summenformel
- C9H12N2
- Molmasse
- 148.21
Namen und Synonyme
4-(pyrrolidin-2-yl)pyridineRefChem:516890696-435-44-pyrrolidin-2-ylpyridine128562-25-44-(2-pyrrolidinyl)pyridine4-Pyrrolidin-2-Yl-Pyridine130343-15-6PYRIDINE, 4-(2-PYRROLIDINYL)-2-(4-Pyridyl)pyrrolidineMFCD01862536130343-14-5
Weitere Namen anzeigen
4-(2-PyrroL4-(2-Pyridyl)pyrrolidine4-(2-pyrrolidyl)pyridine2-(Pyridin-4-yl)pyrrolidine4-(2-Pyrrolidinyl)pyridine,96%
Pyridine, 4-(2-pyrrolidinyl)-, (+)- (9CI)Pyridine, 4-(2-pyrrolidinyl)-, (-)- (9CI)(R)-4-Pyrrolidin-2-yl-pyridine(S)-4-Pyrrolidin-2-yl-pyridine1197239-21-666269-97-42-(4-PYRIDINYL)PYRROLIDINE4-Pyrrolidin-2-ylpyridine dihydrochloride
Datenbank-Bezeichner
- CAS
128562-25-4、130343-15-6- PubChem CID
- 2771664
- EC Number
- 696-435-4
- Nikkaji
- J1.712.397A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 24,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 119
Physikochemische Eigenschaften
- Siedepunkt
- 253.8 · 253.8±28.0 °C(Predicted)
- Dichte
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.84 · 8.84±0.10(Predicted)
- Aggregatzustand
- liquid
- Farbe
- Colourless to light yellow
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- 1S/C9H12N2/c1-2-9(11-5-1)8-3-6-10-7-4-8/h3-4,6-7,9,11H,1-2,5H2
- InChIKey
- GDGNPIOGJLCICG-UHFFFAOYSA-N
- SMILES
- C1CNC(C1)c2ccncc2
- CAS Datenbank
- 128562 · 128562-25-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 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 CategoriesAcute Tox. 3 (25%)；Skin Irrit. 2 (75%)；Eye Irrit. 2A (75%)；STOT SE 3 (75%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933399990
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anwendungen
Verwenden4-Pyrrolidin-2-ylpyridine can be used in aldol catatlysis, in the preparation of azole compounds as 11β-HSD1 inhibitors as well as in the asymetric synthesis of pyrazolodihydropyrimidinylpyrrolidin amide derivatives.
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