(Dihydro-3,3-diphenyl-3H-furan-2-yliden)dimethylammoniumbromid

(Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide

HCID 2723589

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Grundinformationen

CAS: 37743-18-3
Standard-SMILES: C[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1.[Br-]
InChIKey: QJPXLCQSAFQCBD-UHFFFAOYSA-M
Summenformel: C18H20BrNO
Durchschnittliche Molmasse: 346,3 g/mol
Monoisotopische Masse: 345,07282636

Namen und Bezeichner

Bevorzugter Name: (Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
IUPAC: (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide
Lokaler Name: (Dihydro-3,3-diphenyl-3H-furan-2-yliden)dimethylammoniumbromid
Englischer Name: 3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide
Summenformel: C18H20NO.Br
Molmasse: 346.27

Namen und Synonyme

dimethyl(tetrahydro-3,3-diphenyl-2-furylidene)ammonium bromideEINECS 253-649-9(Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromideRefChem:406152253-649-937743-18-33,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromideDihydro-N,N-dimethyl-3,3-diphenyl-2(3H)-furaniminium bromideMFCD02093792(3,3-diphenyloxolan-2-ylidene)-dimethylazanium;bromide(3,3-Diphenyldihydrofuran-2-ylidine)dimethylammoniumbromide5-(Dimethylamino)-4,4-diphenyl-3,4-dihydro-2H-furan-1-ium bromide

Weitere Namen anzeigen

Loperamide ImpurityLoperamide Impurity 9Loperamide IntermediateDimethyl-(tetrahydro-3,3-diphenyl-2(3,3-DIPHENYLDIHYDROFURAN-2-YLIDIUM)AMMONIUM BROMIDEDihydro-N,N-dimethyl-3,3-diphenyl-2-(3H)-furaminium bromide(3,3-DIPHENYLDIHYDROFURAN-2-YLIDINE)DIMETHYLAMMONIUM BROMIDEDimethyl-(tetrahydro-3,3-diphenyl-2-furilidine)ammonium Brom

Dimethyl-(tetrahydro-3,3-diphenyl-2-furilidine)ammonium BromideFuranimium bromideLoperamide impurity 15MLS006010009SCHEMBL461361(3,3-diphenyloxolan-2-ylidene)-dimethylazanium,bromideDTXSID80958777AKOS005254480

Datenbank-Bezeichner

CAS: 37743-18-3
PubChem CID: 2723589
DTXSID: DTXSID80958777
EC Number: 253-649-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 21
Formalladung: 0
Komplexität: 340

Physikochemische Eigenschaften

Schmelzpunkt: 174.2 · 174.2-177.4 °C
Dichte: 1.3296 · 1.3296 (rough estimate)
Dampfdruck: 0.002 · 0.002-0.007Pa at 20-25℃
Brechungsindex: 1.557 · 1.5570 (estimate)
Löslichkeit: 500 g/L · >500 g/L (20°C)
Aggregatzustand: Solid:particulate/powder
Wasserlöslichkeit: 500 g/L · >500 g/L (20 ºC)
InChI: InChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
InChIKey: QJPXLCQSAFQCBD-UHFFFAOYSA-M
SMILES: C1(CCO/C/1=[N+](/C)\C)(C1=CC=CC=C1)C1C=CC=CC=1.[Br-]
LogP: -2.3 at · -2.3 at 20℃ and pH7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.