4-Diethylaminobenzaldehyd

4-(Diethylamino)benzaldehyde

HCID 67114CAS 120-21-8
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Grundinformationen

Standard-SMILES
CCN(CC)c1ccc(C=O)cc1
InChIKey
MNFZZNNFORDXSV-UHFFFAOYSA-N
Summenformel
C11H15NO
Durchschnittliche Molmasse
177,24 g/mol
Monoisotopische Masse
177,1153641

Überblick

4-(diethylamino)benzaldehyde is a member of the class of benzaldehydes carrying a diethylamino substituent at position 4. It has a role as an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It is a member of benzaldehydes, an aromatic amine and a tertiary amino compound.

Namen und Bezeichner

Bevorzugter Name
4-(Diethylamino)benzaldehyde
IUPAC
4-(diethylamino)benzaldehyde
Lokaler Name
4-Diethylaminobenzaldehyd
Englischer Name
4-Diethylaminobenzaldehyde
Summenformel
C11H15NO
Molmasse
177.24

Namen und Synonyme

4-(Diethylamino)benzaldehyde4-Diethylaminobenzaldehyde120-21-8Benzaldehyde, 4-(diethylamino)-p-(Diethylamino)benzaldehydep-Formyl-N,N-diethylanilineBenzaldehyde, p-(diethylamino)-4-(N,N-Diethylamino)benzaldehydeDTXSID0021963S640XWL10HCHEBI:86194NSC-8782
Weitere Namen anzeigen
DEABN,N-Diethylaminobenzaldehyde4-DiethyLDEAB - NSC 8782AKOS BBS-000032024-DiethylaminobenzalLABOTEST-BB LT00924385p-Diethylaminobenzaldehyd
DTXCID901963DEABZRefChem:97424204-377-44-(Diethylamino)-Benzaldehydep-DIETHYLAMINOBENZALDEHYDENSC 8782MFCD00003382

Datenbank-Bezeichner

CAS
120-21-8
PubChem CID
67114
DTXSID
DTXSID0021963
ChEMBL
CHEMBL3416563
ChEBI
CHEBI:86194
UNII
S640XWL10H
EC Number
204-377-4
Nikkaji
J37.725B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
20,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section139.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0021963]

Physikochemische Eigenschaften

Schmelzpunkt
37 · 37-41 °C(lit.)
Siedepunkt
174 °C7 · 174 °C7 mm Hg(lit.)
Dichte
1.03 g/cm3 · 1.03 g/cm3
Brechungsindex
1.5302 · 1.5302 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (68.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzaldehyde, 4-(diethylamino)-

Benzaldehyde, 4-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (68.2%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29223990
RTECS-Nr.
CU5612850
risk_code
36/37/38-50/53-21/22
Toxizität
mouse,LD50,intraperitoneal,700mg/kg (700mg/kg),National Technical Information Service. Vol. OTS0534444,

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 4-(diethylamino)-: ACTIVE

Anwendungen

Verwenden4-Diethylaminobenzaldehyde is used in the preparation of 5-(4-diethylamino-benzylidene)-selenazolidine-2,4-dione by using aqueous methylamine as a reagent.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of benzaldehydes carrying a diethylamino substituent at position 4.

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