1,1-Diethoxytrimethylamin

Dimethylformamide diethylacetal

HCID 70913CAS 1188-33-6

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Grundinformationen

Standard-SMILES: CCOC(OCC)N(C)C
InChIKey: BWKAYBPLDRWMCJ-UHFFFAOYSA-N
Summenformel: C7H17NO2
Durchschnittliche Molmasse: 147,22 g/mol
Monoisotopische Masse: 147,12592878

Namen und Bezeichner

Bevorzugter Name: Dimethylformamide diethylacetal
IUPAC: 1,1-diethoxy-N,N-dimethylmethanamine
Lokaler Name: 1,1-Diethoxytrimethylamin
Englischer Name: N,N-Dimethyformamide diethy acetal
Summenformel: C7H17NO2
Molmasse: 147.22

Namen und Synonyme

1188-33-61,1-Diethoxy-N,N-dimethylmethanamineN,N-Dimethylformamide diethyl acetal1,1-DiethoxytrimethylamineMethanamine, 1,1-diethoxy-N,N-dimethyl-(diethoxymethyl)dimethylaminedimethylformamide diethylacetalQOJ5HYK225EINECS 214-707-9NSC 377652NSC-377652AI3-36612

Weitere Namen anzeigen

N,N-DimethyformamideDiethoxy-N,N-dimethylmethanamineDMF-DIETHYLACETALformamide diethyLFlumazenil EP Impurity CFlumazenil impurity C (EP)

Dimethylformamide diethyl acetalDTXSID5061584BWKAYBPLDRWMCJ-UHFFFAOYSA-FLUMAZENIL IMPURITY C [EP IMPURITY]DIMETHYLFORMAMIDE DIETHYLACETAL [USP IMPURITY]FLUMAZENIL IMPURITY C (EP IMPURITY)DIMETHYLFORMAMIDE DIETHYLACETAL (USP IMPURITY)1,1Diethoxytrimethylamine

Datenbank-Bezeichner

CAS: 1188-33-6
PubChem CID: 70913
DTXSID: DTXSID5061584
UNII: QOJ5HYK225
EC Number: 214-707-9
Nikkaji: J150.716H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 21,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 10
Formalladung: 0
Komplexität: 70

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 178 · 178-180 °C(Solv: ethanol (64-17-5))
Siedepunkt: 170 °C · 170 °C(lit.)
Dichte: 0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.411(lit.)
Flammpunkt: 72 °F · 72 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Soluble), DMSO (Slightly), Methanol (Slightly)
pka: 5.31 · 5.31±0.50(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 0.861 · 0.861 (20/4℃)
BRN: 741889 · 741889
Stabilität: Moisture Sensitive
InChI: 1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3
InChIKey: BWKAYBPLDRWMCJ-UHFFFAOYSA-N
SMILES: CCOC(OCC)N(C)C
CAS Datenbank: 1188 · 1188-33-6(CAS DataBase Reference)
NIST chemische Informationen: N,N-Dimethylformamide diethylacetal(1188-33-6)
EPA chemische Informationen: 1 · Methanamine, 1,1-diethoxy-N,N-dimethyl- (1188-33-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (12.8%): Highly Flammable liquid and vapor [Danger 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationN,N-Dimethylformamide diethyl acetal: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See N,N-Dimethylformamide dimethyl acetal.

Hazard Classes and CategoriesFlam. Liq. 2 (12.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29225000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationMethanamine, 1,1-diethoxy-N,N-dimethyl-: INACTIVE

Anwendungen

VerwendenN,N-Dimethylformamide diethyl acetal was used in quantification of cocaine and its primary metabolite, benzoyl ecgonine from urine matrix by gas chromatography.