N,N,N-Trimethyl-1,1-bis(1-methylethoxy)amin

N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine

HCID 87682CAS 18503-89-4

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Grundinformationen

Standard-SMILES: CC(C)OC(OC(C)C)N(C)C
InChIKey: XOZZATXWQMOVHL-UHFFFAOYSA-N
Summenformel: C9H21NO2
Durchschnittliche Molmasse: 175,27 g/mol
Monoisotopische Masse: 175,15722891

Namen und Bezeichner

Bevorzugter Name: N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine
IUPAC: N,N-dimethyl-1,1-di(propan-2-yloxy)methanamine
Lokaler Name: N,N,N-Trimethyl-1,1-bis(1-methylethoxy)amin
Englischer Name: N,N-Dimethylformamide diisopropyl acetal
Summenformel: C9H21NO2
Molmasse: 175.27

Namen und Synonyme

18503-89-4N,N-Dimethyl-1,1-bis(1-methylethoxy)methanamineN,N,N-Trimethyl-1,1-bis(1-methylethoxy)amineEINECS 242-386-5DTXSID20171701RefChem:822078DTXCID6094192242-386-5N,N-Dimethylformamide diisopropyl acetal1,1-diisopropoxy-n,n-dimethylmethanamineN,N-dimethyl-1,1-di(propan-2-yloxy)methanamineMFCD00008879

Weitere Namen anzeigen

SKL1154diisopropoxymethyl(dimethyl)aminediisopropoxy-N,N-dimethylmethanamine1,1‐Bis‐(1‐methylethoxy)‐trimethylamineN,N-DIMETHYLFORMAMIDE DI-N-PROPYL ACETAL

Methanamine, N,N-dimethyl-1,1-bis(1-methylethoxy)-[bis(propan-2-yloxy)methyl]dimethylaminedimethylformamide diisopropylacetal1,1-Diisopropoxytrimethylamine1,1-Diisopropoxy-N,N-dimethylmethylamineDimethyl(diisopropoxymethyl)amineDMF diisopropyl acetalN,N-DIMETHYLFORMAMIDE DIMETHYLACETATE

Datenbank-Bezeichner

CAS: 18503-89-4
PubChem CID: 87682
DTXSID: DTXSID20171701
UNII: NZF48578HE
EC Number: 242-386-5
Nikkaji: J149.893B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 21,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 12
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Siedepunkt: 79 · 79-80 °C60 mm Hg(lit.)
Dichte: 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.409(lit.)
Flammpunkt: 74 °F · 74 °F
storage temp.: -20 °C, · -20°C, protect from light
Aggregatzustand: liquid
pka: 5.47 · 5.47±0.50(Predicted)
BRN: 1901978 · 1901978
InChI: InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3
InChIKey: XOZZATXWQMOVHL-UHFFFAOYSA-N
SMILES: C(OC(C)C)(OC(C)C)N(C)C
CAS Datenbank: 18503 · 18503-89-4(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: 2922190090
risk_code: 36/37/38-10
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

VerwendenN,N-Dimethylformamide diisopropyl acetal was used in the quantification of cocaine and its metabolite, benzoyl ecgonine from urine matrix.