1,1-Dibutoxytrimethylamin

1,1-Dibutoxytrimethylamine

HCID 87683CAS 18503-90-7

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Grundinformationen

Standard-SMILES: CCCCOC(OCCCC)N(C)C
InChIKey: GSFFXKGTGPMVLM-UHFFFAOYSA-N
Summenformel: C11H25NO2
Durchschnittliche Molmasse: 203,32 g/mol
Monoisotopische Masse: 203,18852904

Namen und Bezeichner

Bevorzugter Name: 1,1-Dibutoxytrimethylamine
IUPAC: 1,1-dibutoxy-N,N-dimethylmethanamine
Lokaler Name: 1,1-Dibutoxytrimethylamin
Englischer Name: 1,1-Dibutoxytrimethylamine
Summenformel: C11H25NO2
Molmasse: 203.32

Namen und Synonyme

1,1-Dibutoxytrimethylamine18503-90-71,1-dibutoxy-N,N-dimethylmethanamineEINECS 242-387-0GSFFXKGTGPMVLM-UHFFFAOYSA-DTXSID80171702RefChem:409766DTXCID1094193242-387-0InChI=1/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3N,N-Dimethylformamide dibutyl acetalMFCD00015249

Weitere Namen anzeigen

SKL1152dibutoxymethyl(dimethyl)amineα,α-Dibutoxy-N,N-dimethylmethanamine1,1-DIBUTOXY-N,N-DIMETHYLMETHYLAMINEN,N-DIMETHYLFORMAMIDE DI-N-BUTYL ACETALMethanamine, 1,1-dibutoxy-N,N-dimethyl-

C11H25NO2dimethylformamide dibutylacetalSCHEMBL134247dimethylformamide di-n-butylacetalN,N-DimethylformamidedibutylacetalDibutoxy-N,N-dimethylmethanamine #AKOS025311558N,N-Dimethylformamide di-n-butylacetal

Datenbank-Bezeichner

CAS: 18503-90-7
PubChem CID: 87683
DTXSID: DTXSID80171702
EC Number: 242-387-0
Nikkaji: J150.715J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 21,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 9
Schwere Atome: 14
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

Siedepunkt: 93 °C12 · 93 °C12 mm Hg(lit.)
Dichte: 0.853 g/mL · 0.853 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.417
Flammpunkt: 53 °C · 53°C
pka: 5.22 · 5.22±0.50(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 0.852 · 0.852
BRN: 1098693 · 1098693
InChI: InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
InChIKey: GSFFXKGTGPMVLM-UHFFFAOYSA-N
SMILES: C(OCCCC)(OCCCC)N(C)C
CAS Datenbank: 18503 · 18503-90-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 2924.19.8000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN,N-Dimethylformamide dibutyl acetal is the suitable reagent used for the simultaneous quantification of cocaine and its primary metabolite, benzoyl ecgonine, from a urine matrix by gas-chromatography. It may be used as reagent for the esterification of fatty acids.