6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde

HCID 2794775CAS 261715-39-3

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Grundinformationen

Standard-SMILES: O=Cc1ccc(N2CCCC2)nc1
InChIKey: FFFAXGTZBUMKTI-UHFFFAOYSA-N
Summenformel: C10H12N2O
Durchschnittliche Molmasse: 176,21 g/mol
Monoisotopische Masse: 176,094963

Namen und Bezeichner

Bevorzugter Name: 6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde
IUPAC: 6-pyrrolidin-1-ylpyridine-3-carbaldehyde
Englischer Name: 6-(1-Pyrrolidinyl)nicotinaldehyde
Summenformel: C10H12N2O
Molmasse: 176.22

Namen und Synonyme

261715-39-36-(pyrrolidin-1-yl)pyridine-3-carbaldehydeDTXSID00383401RefChem:306941DTXCID70334425681-770-06-(1-PYRROLIDINYL)NICOTINALDEHYDE6-(pyrrolidin-1-yl)nicotinaldehyde6-pyrrolidin-1-ylpyridine-3-carbaldehydeMFCD062008813-Pyridinecarboxaldehyde, 6-(1-pyrrolidinyl)-6-PYRROLIDIN-1-YLNICOTINALDEHYDE

Weitere Namen anzeigen

H501266-(1-Pyrrolidinyl)nicotinealdehyde6-(1-pyrolidine)acylmethylaldehyde6-(1-Pyrrolidinyl)nicotinaldehyde ,97%6-PYRROLIDIN-1-YL-PYRIDINE-3-CARBALDEHYDE6-(PYRROLIDIN-1-YL)PYRIDINE-3-CARBOXALDEHYDE3-Pyridinecarboxaldehyde,6-(1-pyrrolidinyl)-

SCHEMBL17350176-(1-PYRROLIDINYL)PYRIDINE-3-CARBOXALDEHYDEZ12016232646-pyrrolidinylpyridine-3-carbaldehyde6-(1-Pyrrolidino)pyridine-3-carboxaldehydeBCP23119A5189FFFAXGTZBUMKTI-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 261715-39-3
PubChem CID: 2794775
DTXSID: DTXSID00383401
EC Number: 681-770-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 33,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Schmelzpunkt: 89 °C · 89 °C
Siedepunkt: 358.1 · 358.1±27.0 °C(Predicted)
Dichte: 1.183 · 1.183±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 5.26 · 5.26±0.29(Predicted)
Aggregatzustand: solid
Farbe: Yellow
InChI: 1S/C10H12N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKey: FFFAXGTZBUMKTI-UHFFFAOYSA-N
SMILES: O=CC1=CC=C(N=C1)N2CCCC2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 2811
hs_code: 29333990
risk_code: 22-36/37/38
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden6-(Pyrrolidin-1-yl)nicotinaldehyde is a useful reagent in the preparation of benzimidazole derivatives as inhibitors for abnormal proliferation of prostatic interstitial cells in the treatment of prostatic hypertrophy.