2',4'-Dimethylacetanilid

N-(2,4-Dimethylphenyl)acetamide

HCID 16303

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Grundinformationen

CAS: 2050-43-3
Standard-SMILES: CC(=O)Nc1ccc(C)cc1C
InChIKey: PJEIIBXJUDOMAN-UHFFFAOYSA-N
Summenformel: C10H13NO
Durchschnittliche Molmasse: 163,22 g/mol
Monoisotopische Masse: 163,09971404

Namen und Bezeichner

Bevorzugter Name: N-(2,4-Dimethylphenyl)acetamide
IUPAC: N-(2,4-dimethylphenyl)acetamide
Lokaler Name: 2',4'-Dimethylacetanilid
Englischer Name: 2',4'-Dimethylacetanilide
Summenformel: C10H13NO
Molmasse: 163.22

Namen und Synonyme

N-(2,4-Dimethylphenyl)acetamide2',4'-Dimethylacetanilide2,4-DimethylacetanilideAcetamide, N-(2,4-dimethylphenyl)-2',4'-Acetoxylidine2',4'-ACETOXYLIDIDEN-Acetyl-2,4-xylidineAcetanilide, 2',4'-dimethyl-NSC 37567N-Acetoxy-2,4-dimethylanilineDTXSID0044868EINECS 218-088-6

Weitere Namen anzeigen

2,4-DMA2’,4’-acetoxylidine4-Acetamido-m-xylene-Dimethylacetanilide2,4-ACETOXYLIDIDE 99%Lidocaine Impurity 42

UNII-3U0W52HZ1HBRN 26904293U0W52HZ1HAI3-21210NSC-37567DTXCID80248684-12-00-02548 (Beilstein Handbook Reference)MBR-22441

Datenbank-Bezeichner

CAS: 2050-43-3
PubChem CID: 16303
DTXSID: DTXSID0044868
ChEMBL: CHEMBL3188564
UNII: 3U0W52HZ1H
EC Number: 218-088-6
Nikkaji: J55.068J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 167

Experimentelle und physikochemische Eigenschaften

Collision Cross Section136.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044868]

Physikochemische Eigenschaften

Schmelzpunkt: 129 · 129-132 °C(lit.)
Siedepunkt: 290.31 °C · 290.31°C (rough estimate)
Dichte: 1.0508 · 1.0508 (rough estimate)
Brechungsindex: 1.5718 · 1.5718 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 15.14 · 15.14±0.70(Predicted)
Aggregatzustand: Powder
Farbe: White
InChI: 1S/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKey: PJEIIBXJUDOMAN-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(C)cc1C
EPA chemische Informationen: 2 · 2',4'-Dimethylacetanilide (2050-43-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

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

Aggregated GHS information provided per 40 reports by companies from 3 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.: AN7420000
risk_code: 22-36/37/38
Toxizität: LD50 orl-mus: 1300 mg/kg TXAPA9 19,20,71
hazard_code: Xn
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesN-(2,4-Dimethylphenyl)acetamide is a known human metabolite of 2,4-dimethylaniline.

Verwendung und Herstellung

General Manufacturing InformationAcetamide, N-(2,4-dimethylphenyl)-: INACTIVE

Anwendungen

Verwenden2′,4′-Dimethylacetanilide (N-acetyl-2,4-xylidine) may be used as a starting material in the synthesis of 5-acetamido-2,4-dimethylaniline.