N-Ethylacetamid

Ethylacetamide

HCID 12253

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Grundinformationen

CAS: 625-50-3
Standard-SMILES: CCNC(C)=O
InChIKey: PMDCZENCAXMSOU-UHFFFAOYSA-N
Summenformel: C4H9NO
Durchschnittliche Molmasse: 87,12 g/mol
Monoisotopische Masse: 87,06841391

Überblick

N-ethylacetamide is a member of the class of acetamides that is the N-ethyl derivative of acetamide. It has a role as a metabolite.

Namen und Bezeichner

Bevorzugter Name: Ethylacetamide
IUPAC: N-ethylacetamide
Lokaler Name: N-Ethylacetamid
Englischer Name: N-Ethylacetamide
Summenformel: C4H9NO
Molmasse: 87.12

Namen und Synonyme

N-ETHYLACETAMIDE625-50-3Acetamide, N-ethyl-AcetamidoethaneEthylacetamideAcetoethylamideM9Y95ZE6J9NSC-406307DTXSID5060803CHEBI:87370RefChem:163333DTXCID7043370

Weitere Namen anzeigen

acetylethylaminen-ethyl-acetamid

210-896-7N-AcetylethylamineN-AethylacetamidN-Ethyl-acetamideMFCD00009029N-ethylethanamideBRN 0969292UNII-M9Y95ZE6J9

Datenbank-Bezeichner

CAS: 625-50-3
PubChem CID: 12253
DTXSID: DTXSID5060803
ChEBI: CHEBI:87370
UNII: M9Y95ZE6J9
EC Number: 210-896-7
Nikkaji: J26.738D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 51,5

Experimentelle und physikochemische Eigenschaften

SolventsSolvents -> Amides (<C10)

SpringerMaterials PropertiesDensity

Boiling Point205.00 °C. @ 760.00 mm Hg

Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -32 °C · -32°C
Siedepunkt: 90 · 90-92 °C/8 mmHg (lit.)
Dichte: 0.924 g/mL · 0.924 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.433(lit.)
Flammpunkt: 224 °F · 224 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 16.62 · 16.62±0.46(Predicted)
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Fully misicible in water.
BRN: 969292 · 969292
InChI: 1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
InChIKey: PMDCZENCAXMSOU-UHFFFAOYSA-N
SMILES: CCNC(C)=O
LogP: -0.52 · -0.520 (est)
CAS Datenbank: 625 · 625-50-3(CAS DataBase Reference)
NIST chemische Informationen: Acetamide, N-ethyl-(625-50-3)
EPA chemische Informationen: Acetamide, N-ethyl- (625-50-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 145 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Acetamide, N-ethyl-

Status: Active Update: 13-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30275

N-Ethylacetamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryCauses somnolence in intraperitoneal lethal-dose studies of mice (LD50 = 3,560 mg/kg); [RTECS] May cause irritation; [Alfa Aesar MSDS] See Dimethyl acetamide.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29241990
RTECS-Nr.: AB8500000
risk_code: 22
hazard_code: Xn
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

General Manufacturing InformationAcetamide, N-ethyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenN-ethylacetamide is a suitable nylon model for mechanistic studies of dye fading. N-Ethylacetamide was used to investigate propylene carbonate and a mixture of N-methylformamide and N-ethylacetamide by broadband dielectric and mechanical shear spectroscopy. It was used in determination of reaction products of OH-oxidation of N-methylpyrrolidone under atmospheric conditions.