4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde

HCID 411674CAS 15182-94-2

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Grundinformationen

Standard-SMILES: CCN(CC)CCOc1ccc(C=O)cc1
InChIKey: NYCUSYCCGKZKBM-UHFFFAOYSA-N
Summenformel: C13H19NO2
Durchschnittliche Molmasse: 221,29 g/mol
Monoisotopische Masse: 221,14157885

Namen und Bezeichner

Bevorzugter Name: 4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde
IUPAC: 4-[2-(diethylamino)ethoxy]benzaldehyde
Englischer Name: 4-(2-(Diethylamino)-ethoxy)-benzaldehyde
Summenformel: C13H19NO2
Molmasse: 221.3

Namen und Synonyme

15182-94-24-[2-(Diethylamino)ethoxy]benzaldehyde4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde4-(2-(diethylamino)ethoxy)benzaldehydeDTXSID30328547RefChem:512007DTXCID00279653654-113-0Benzaldehyde,4-[2-(diethylamino)ethoxy]-4-(2-Diethylamino-ethoxy)-benzaldehydestarbld0000283SCHEMBL870305

Weitere Namen anzeigen

4-(diethyl-amino-ethoxy-)-benz-aldehydeBenzaldehyde, 4-[2-(diethylamino)ethoxy]-

4-diethylaminoethoxybenzaldehydeSCHEMBL8995210NYCUSYCCGKZKBM-UHFFFAOYSA-N4-(diethylamino)ethoxy benzaldehydeQAA18294MFCD000652864-(2-diethylamino-ethoxy)benzaldehyde4-(2-diethylaminoethoxy)-benzaldehyde

Datenbank-Bezeichner

CAS: 15182-94-2
PubChem CID: 411674
DTXSID: DTXSID30328547
EC Number: 654-113-0
Nikkaji: J307.664D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 16
Formalladung: 0
Komplexität: 184

Physikochemische Eigenschaften

Siedepunkt: 168 °C · 168 °C(Press: 6 Torr)
Dichte: 1.029 · 1.029±0.06 g/cm3(Predicted)
pka: 9.5 · 9.50±0.25(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.