N-(1-ethylpropyl)-3,4-dimethylaniline

HCID 91984CAS 56038-89-2

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Grundinformationen

Standard-SMILES: CCC(CC)Nc1ccc(C)c(C)c1
InChIKey: ZOTRFGNOTDLOAU-UHFFFAOYSA-N
Summenformel: C13H21N
Durchschnittliche Molmasse: 191,31 g/mol
Monoisotopische Masse: 191,16739967

Namen und Bezeichner

Bevorzugter Name: N-(1-ethylpropyl)-3,4-dimethylaniline
IUPAC: 3,4-dimethyl-N-pentan-3-ylaniline
Englischer Name: N-(1-Ethylpropyl)-3,4-dimethylaniline
Summenformel: C13H21N
Molmasse: 191.31

Namen und Synonyme

56038-89-2N-(1-ethylpropyl)-3,4-dimethylanilineN-(1-Ethylpropyl)-3,4-XylidineBenzenamine, N-(1-ethylpropyl)-3,4-dimethyl-DTXSID4028040L2PBQ2GDBJUNII-L2PBQ2GDBJBenzenamine, N-(1-ethylpropyl)-4,5-dimethyl-N-(1-ethylpropyl)-3,4-dimethylBenzenamineDTXCID008040J1.581.716JRefChem:201953

Weitere Namen anzeigen

N-3-pentyl-3,4-dimethylaniline3,4-dimethyl-N-pentan-3-yl-anilineN-(1-Ethylpropyl)-3,4-diMethylaniline, N-(1-Ethylpropyl)-3,4-xylidine

611-347-83,4-dimethyl-N-(pentan-3-yl)aniline3,4-dimethyl-N-pentan-3-ylanilineMFCD05662422N-(1-Ethylpropyl)-34-dimethylanilineN-(1-Ethylpropyl)-3,4-dimethylbenzenamine; N-(1-Ethylpropyl)-3,4-dimethylaniline;N-(1-ethylpropyl)-3,4-dimethyl-anilineN-3-pentyl-3,4-xylidine

Datenbank-Bezeichner

CAS: 56038-89-2
PubChem CID: 91984
DTXSID: DTXSID4028040
ChEMBL: CHEMBL3184416
UNII: L2PBQ2GDBJ
EC Number: 611-347-8
Nikkaji: J1.581.716J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 151

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Collision Cross Section151.1 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4028040]

Physikochemische Eigenschaften

Siedepunkt: 290.2 · 290.2±9.0 °C(Predicted)
Dichte: 0.92 · 0.920±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: Chloroform (Sparingly), Methanol (Sparingly)
Aggregatzustand: Oil
pka: 6.11 · 6.11±0.33(Predicted)
Farbe: Pale Brown to Brown
EPA chemische Informationen: Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl- (56038-89-2)

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 10,000,000 - <50,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-: ACTIVE

Anwendungen

VerwendenN-(1-Ethylpropyl)-3,4-xylidine is a useful compound in the synthesis of dinitro herbicides via one-step dinitration with nitric acid in continuous-flow microreactor.