Grundinformationen
- Standard-SMILES
CCC(=O)N(CC)CC- InChIKey
YKOQQFDCCBKROY-UHFFFAOYSA-N- Summenformel
- C7H15NO
- Durchschnittliche Molmasse
- 129,2 g/mol
- Monoisotopische Masse
- 129,1153641
Namen und Bezeichner
- Bevorzugter Name
- N,N-Diethylpropionamide
- IUPAC
- N,N-diethylpropanamide
- Englischer Name
- N,N-Diethylpropionamide
- Summenformel
- C7H15NO
- Molmasse
- 129.2
Namen und Synonyme
N,N-Diethylpropionamide1114-51-8N,N-DiethylpropanamideDiethylpropionamidePropanamide, N,N-diethyl-Propionamide, N,N-diethyl-Diethylamide of propionic acidJFK8231N9SBRN 1747650NSC 105UNII-JFK8231N9SDTXSID1061493
Weitere Namen anzeigen
N,N-Diethylpropiomiden,n-diethyl-propanamidN,N-diethylpropylamiden,n-diethyl-propionamidN,N-Diethylpropionamide >
AI3-02833NSC-1054-04-00-00353 (Beilstein Handbook Reference)RefChem:161202DTXCID8033225YKOQQFDCCBKROY-UHFFFAOYSA-NMFCD00009302n,n-diethyl-propionamide
Datenbank-Bezeichner
- CAS
1114-51-8- PubChem CID
- 66191
- DTXSID
DTXSID1061493- UNII
- JFK8231N9S
- EC Number
- 625-387-9
- Nikkaji
- J150.142I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 20,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 86,9
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDensity
Physikochemische Eigenschaften
- Siedepunkt
- 77 °C/12 · 77 °C/12 mmHg (lit.)
- Dichte
- 0.897 g/mL · 0.897 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.442(lit.)
- Flammpunkt
- 163 °F · 163 °F
- storage temp.
- Store at room temperature
- pka
- -0.41 · -0.41±0.70(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- InChI
- 1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
- InChIKey
- YKOQQFDCCBKROY-UHFFFAOYSA-N
- SMILES
- CCN(CC)C(=O)CC
- CAS Datenbank
- 1114 · 1114-51-8(CAS DataBase Reference)
- NIST chemische Informationen
- N,N-Diethylpropionamide(1114-51-8)
- EPA chemische Informationen
- Propanamide, N,N-diethyl- (1114-51-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2924297099
- RTECS-Nr.
- UE3567500
- risk_code
- 20/21/22
- Toxizität
- mouse,LD50,intraperitoneal,770mg/kg (770mg/kg),VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION,Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 18, Pg. 245, 1966.
- hazard_code
- Xn
- safety_code
- 36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPropanamide, N,N-diethyl-: ACTIVE
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