4-(Diethylamino)salicylaldehyd

4-(Diethylamino)-2-hydroxybenzaldehyde

HCID 87293CAS 17754-90-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCN(CC)c1ccc(C=O)c(O)c1
InChIKey: XFVZSRRZZNLWBW-UHFFFAOYSA-N
Summenformel: C11H15NO2
Durchschnittliche Molmasse: 193,24 g/mol
Monoisotopische Masse: 193,11027872

Überblick

4-(Diethylamino)salicylaldehyde is a hydroxybenzaldehyde.

Namen und Bezeichner

Bevorzugter Name: 4-(Diethylamino)-2-hydroxybenzaldehyde
IUPAC: 4-(diethylamino)-2-hydroxybenzaldehyde
Lokaler Name: 4-(Diethylamino)salicylaldehyd
Englischer Name: 4-(Diethylamino)salicylaldehyde
Summenformel: C11H15NO2
Molmasse: 193.24

Namen und Synonyme

4-(Diethylamino)salicylaldehyde17754-90-44-(Diethylamino)-2-hydroxybenzaldehydep-(Diethylamino)salicylaldehydeDTXSID5022271OU5NFU4681DTXCID102271RefChem:515798241-745-3Benzaldehyde, 4-(diethylamino)-2-hydroxy-4-Diethylaminosalicylaldehyde4-(N,N-Diethylamino)salicylaldehyde

Weitere Namen anzeigen

4-(diethylamino)salicyladehyde-6-4(3H6+3)amino)saL5]thieno[28-tetrahydro-24-d]pyriMidine-2

4-Diethylamino-2-hydroxybenzaldehydeMFCD00003326Salicylaldehyde, 4-(diethylamino)-4-diethylamino-2-hydroxy-benzaldehyde4-(diethylamino)-2-hydroxy-benzaldehyde4-(N,N-diethylamino)-2-hydroxybenzaldehyde2-Hydroxy-4-diethylaminobenzaldehydeEINECS 241-745-3

Datenbank-Bezeichner

CAS: 17754-90-4
PubChem CID: 87293
DTXSID: DTXSID5022271
ChEMBL: CHEMBL3561306
ChEBI: CHEBI:183489
UNII: OU5NFU4681
EC Number: 241-745-3
Nikkaji: J30.756D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 180

Experimentelle und physikochemische Eigenschaften

Collision Cross Section143.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5022271]

Physikochemische Eigenschaften

Schmelzpunkt: 60 · 60-62 °C (lit.)
Siedepunkt: 329.46 °C · 329.46°C (rough estimate)
Dichte: 1.0945 · 1.0945 (rough estimate)
Brechungsindex: 1.5041 · 1.5041 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 8.29 · 8.29±0.10(Predicted)
Aggregatzustand: Powder or Crystalline Powder
Farbe: Pale brown to pink to purple
Wasserlöslichkeit: Insoluble in water.
BRN: 2212234 · 2212234
InChIKey: XFVZSRRZZNLWBW-UHFFFAOYSA-N
CAS Datenbank: 17754 · 17754-90-4(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzaldehyde, 4-(diethylamino)-2-hydroxy- (17754-90-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (84.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.