1-Benzylpiperidin-4-carbaldehyd

1-Benzylpiperidine-4-carbaldehyde

HCID 89584CAS 22065-85-6

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Grundinformationen

Standard-SMILES: O=CC1CCN(Cc2ccccc2)CC1
InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N
Summenformel: C13H17NO
Durchschnittliche Molmasse: 203,28 g/mol
Monoisotopische Masse: 203,13101417

Namen und Bezeichner

Bevorzugter Name: 1-Benzylpiperidine-4-carbaldehyde
IUPAC: 1-benzylpiperidine-4-carbaldehyde
Lokaler Name: 1-Benzylpiperidin-4-carbaldehyd
Englischer Name: N-Benzylpiperidine-4-carboxaldehyde
Summenformel: C13H17NO
Molmasse: 203.28

Namen und Synonyme

1-Benzylpiperidine-4-carbaldehyde1-Benzyl-4-formylpiperidineS5RKG3HX5A4-piperidinecarboxaldehyde, 1-(phenylmethyl)-N-BENZYL-4-FORMYLPIPERIDINEDTXSID201765541-(PHENYLMETHYL)-4-PIPERIDINECARBOXALDEHYDEEINECS 244-757-7RefChem:75015DTXCID8099045244-757-722065-85-6

Weitere Namen anzeigen

Benzylpiperidine-4-carboxaldehydeN-Benzyl-4-Piperidinecarboxaldehyde95%N-Benzylpiperidine-4-carboxaldehyde 95%1-(Phenylmethyl)-4-piperidinecarbaldehyde1-Benzyl-4-piperidinecarboxaldehyde,1-Benzyl-4-formylpiperidine1-Benzyl-4-formylpiperidine, [(4-Formylpiperidin-1-yl)methyl]benzeneZERO/005913

1-Benzyl-4-piperidinecarboxaldehydeN-Benzylpiperidine-4-carboxaldehyde1-Benzylpiperidine-4-carboxaldehyde1-benzyl-4-piperidine-carboxaldehydeMFCD022589021-benzyl-piperidine-4-carbaldehydeDonepezil Aldehyde Impurity4-FORMYL-1-BENZYLPIPERIDINE

Datenbank-Bezeichner

CAS: 22065-85-6
PubChem CID: 89584
DTXSID: DTXSID20176554
UNII: S5RKG3HX5A
EC Number: 244-757-7
Nikkaji: J285.424D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 191

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145-149 °C
Siedepunkt: 315.4 °C/760 · 315.4 °C/760 mmHg
Dichte: 1.026 g/mL · 1.026 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.537
Flammpunkt: 230 °F · >230 °F
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Acetone (Slightly), Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Sli
Aggregatzustand: Liquid
pka: 8.04 · 8.04±0.10(Predicted)
Farbe: Clear colorless to pale yellow
InChI: InChI=1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(C=O)CC1
CAS Datenbank: 22065 · 22065-85-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (10.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 (89.4%)；Skin Irrit. 2 (10.6%)；Eye Dam. 1 (89.4%)；Eye Irrit. 2 (10.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29333990
risk_code: 25-41
hazard_code: T
safety_code: 26-28-36/37/39
hazard_class: IRRITANT
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Stereospecific allylic alkylationReactions of Grignard reagents with carbonyl compoundsFluorodenitrations and nitrodehalogenations for labeled PET ligands and fluoropharmaceuticalsSelective α1 receptor antagonistsReactant for synthesis of:DonepezilMCH-R1 antagonists