N-Methyl-3-oxobutyramid

N-Methylacetoacetamide

HCID 88483CAS 20306-75-6

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Grundinformationen

Standard-SMILES: CNC(=O)CC(C)=O
InChIKey: ATWLCPHWYPSRBQ-UHFFFAOYSA-N
Summenformel: C5H9NO2
Durchschnittliche Molmasse: 115,13 g/mol
Monoisotopische Masse: 115,06332853

Überblick

N-Methylacetoacetamide is a fatty amide.

Namen und Bezeichner

Bevorzugter Name: N-Methylacetoacetamide
IUPAC: N-methyl-3-oxobutanamide
Lokaler Name: N-Methyl-3-oxobutyramid
Englischer Name: N-Methylacetoacetamide
Summenformel: C5H9NO2
Molmasse: 115.13

Namen und Synonyme

N-MethylacetoacetamideN-methyl-3-oxobutanamide20306-75-6Butanamide, N-methyl-3-oxo-Acetoacet-monomethylamideN-MonomethylacetoacetamideSD 9112Acetoacetamide, N-methyl-EINECS 243-723-9UNII-PWE9P6V839PWE9P6V839DTXSID9040138

Weitere Namen anzeigen

AAMAMMAAca.65%inwaterArbidol Impurity 7(ca. 70% in Water)AcetoacetmethylamideN-MethylacetoacetamidAcetoN-methylacetamideAcetoacetylmethylamine

2-ACETYL-N-METHYLACETAMIDERefChem:163785DTXCID7020138243-723-9N-Methyl acetoacetylamideMFCD00044026N-Methylacetoacetamide (ca. 70% in Water)N-Methyl-3-oxobutyramide

Datenbank-Bezeichner

CAS: 20306-75-6
PubChem CID: 88483
DTXSID: DTXSID9040138
ChEBI: CHEBI:182627
UNII: PWE9P6V839
EC Number: 243-723-9
Nikkaji: J35.491K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
Polarare Oberfläche (TPSA): 46,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 109

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Schmelzpunkt: -3 °C · -3 °C
Siedepunkt: 106 °C · 106°C
Dichte: 1.069 · 1.069
Brechungsindex: 1.4325 · 1.4325-1.4345
Flammpunkt: 105 °C · 105 °C
storage temp.: 2 · 2-8°C
Löslichkeit: hydrolysis
Aggregatzustand: clear liquid
pka: 12.79 · 12.79±0.46(Predicted)
Farbe: Light yellow to Yellow to Orange
Wasserlöslichkeit: hydrolysis
CAS Datenbank: 20306 · 20306-75-6(CAS DataBase Reference)
EPA chemische Informationen: -3 · Butanamide, N-methyl-3-oxo- (20306-75-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 57.8% (52 of 90) of all reports.

Warning

H312 (42.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P280, P302+P352, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Butanamide, N-methyl-3-oxo-

Butanamide, N-methyl-3-oxo-: 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.

Hazard Classes and CategoriesAcute Tox. 4 (42.2%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2924297099
risk_code: 36/37/38
safety_code: 24/25

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanamide, N-methyl-3-oxo-: ACTIVE

Anwendungen

VerwendenN-Methylacetoacetamide (min. 70% in water) (MMAA) is used as intermediate for the manufacture of insecticides, e.g. monocrotophos Product Data Sheet