1,1-Bis(benzyloxy)trimethylamin

1,1-Bis(benzyloxy)trimethylamine

HCID 74837CAS 2016-04-8

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Grundinformationen

Standard-SMILES: CN(C)C(OCc1ccccc1)OCc1ccccc1
InChIKey: JFIKHFNGAURIIB-UHFFFAOYSA-N
Summenformel: C17H21NO2
Durchschnittliche Molmasse: 271,35 g/mol
Monoisotopische Masse: 271,15722891

Namen und Bezeichner

Bevorzugter Name: 1,1-Bis(benzyloxy)trimethylamine
IUPAC: N,N-dimethyl-1,1-bis(phenylmethoxy)methanamine
Lokaler Name: 1,1-Bis(benzyloxy)trimethylamin
Englischer Name: N,N-Dimethylformamide dibenzyl acetal
Summenformel: C17H21NO2
Molmasse: 271.35

Namen und Synonyme

2016-04-8N,N-dimethyl-1,1-bis(phenylmethoxy)methanamine1,1-Bis(benzyloxy)trimethylamineDTXSID20173987EINECS 217-946-7RefChem:409700DTXCID1096478217-946-7N,N-Dimethylformamide dibenzyl acetal1,1-bis(benzyloxy)-N,N-dimethylmethanamineMethanamine, N,N-dimethyl-1,1-bis(phenylmethoxy)-N,N-Dimethylformamide dibenzylacetal

Weitere Namen anzeigen

SKL1151DMF-DBZA1,1-DIBENZYLOXYTRIMETHYLAMINE[Bis(benzyloxy)methyl]dimethylamineN,N-Dimethylformamie Dibenzyl AcetalBis(benzyloxy)-N,N-dimethylmethanamine1,1-dibenzyloxy-n,n-dimethylmethylamineN,N-Dimethyl-α,α-bis(benzyloxy)methanamine

MFCD00014869NF2BFK2RSZSCHEMBL133145dimethyl formamide dibenzylacetaldimethyl formamide dibenzyl acetal[bis(phenylmethoxy)methyl]dimethylamineAKOS024348888FD10876

Datenbank-Bezeichner

CAS: 2016-04-8
PubChem CID: 74837
DTXSID: DTXSID20173987
UNII: NF2BFK2RSZ
EC Number: 217-946-7
Nikkaji: J199.822F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 21,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 20
Formalladung: 0
Komplexität: 223

Physikochemische Eigenschaften

Siedepunkt: 118 · 118-120 °C(lit.)
Dichte: 1.045 g/mL · 1.045 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.536(lit.)
Flammpunkt: 212 °F · 212 °F
Löslichkeit: Soluble in variety of inert solvents.
pka: 5.07 · 5.07±0.50(Predicted)
InChI: InChI=1S/C17H21NO2/c1-18(2)17(19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey: JFIKHFNGAURIIB-UHFFFAOYSA-N
SMILES: C(OCC1=CC=CC=C1)(OCC1=CC=CC=C1)N(C)C
CAS Datenbank: 2016 · 2016-04-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 3-21
wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Anwendungen

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