(Dimethylamino)((1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)oxy)-N,N-dimethylmethaniminium tetrafluoroborate

HCID 14309593

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Grundinformationen

CAS: 125700-73-4
Standard-SMILES: CN(C)C(ON1C(=O)C2C3C=CC(C3)C2C1=O)=[N+](C)C.F[B-](F)(F)F
InChIKey: DMTWWFCCBWWXSA-UHFFFAOYSA-N
Summenformel: C14H20BF4N3O3
Durchschnittliche Molmasse: 365,13 g/mol
Monoisotopische Masse: 365,1533843

Namen und Bezeichner

Bevorzugter Name: (Dimethylamino)((1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)oxy)-N,N-dimethylmethaniminium tetrafluoroborate
IUPAC: [dimethylamino-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium tetrafluoroborate
Englischer Name: 2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate
Summenformel: C14H20N3O3.BF4
Molmasse: 365.13

Namen und Synonyme

DTXSID10558769(Dimethylamino)((1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)oxy)-N,N-dimethylmethaniminium tetrafluoroborate(Dimethylamino)[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)oxy]-N,N-dimethylmethaniminium tetrafluoroborateRefChem:1050854DTXCID60509549125700-73-4TNTU2-(1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-1,1,3,3-tetramethyluronium tetrafluoroborateMethanaminium, N-[(dimethylamino)[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)oxy]methylene]-N-methyl-, tetrafluoroborate(1-) (1:1)2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate2-(endo-5-norbornene-2.3-dicarboxylimide)- -1,1,3,3-tetramethyluroniumtetrafluoroborate[Dimethylamino-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium;tetrafluoroborate

Weitere Namen anzeigen

TNTU extrapure, 99%TNTU TETRAFLUOROBORATE[Coupling Reagent for Peptide]O-(5-NORBORNENE-2 3-DICARBOXIMIDO)-TETR&O-(5-Norbornene-2,3-dicarboximido)-N,N,N′,N′-tO-(5-Norbornene-2,3-dicarboximido)-N,N,N′,N′-tetO-(5-NORBORNENE-2,3-DICARBOXIMIDO)-*N,N, N',N'-TETRAnorbornenedicarboximido tetramethyluronium fluoroborateO-(5-NORBORNENE-2,3-DICARBOXIMIDO)-N,N,N',N'-TETRAMETHYLURONIUM

MFCD001677532-(5-Norbornene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium TetrafluoroborateC14H20BF4N3O3SCHEMBL360038SCHEMBL15956657DMTWWFCCBWWXSA-UHFFFAOYSA-NO-(Bicyclo[2.2.1]hept-5-ene-2,3-dicarboximido)-N,N,N',N'-tetramethyluronium tetrafluoroborateMFCD07369131

Datenbank-Bezeichner

CAS: 125700-73-4
PubChem CID: 14309593
DTXSID: DTXSID10558769

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 3
Schwere Atome: 25
Formalladung: 0
Komplexität: 510

Physikochemische Eigenschaften

Schmelzpunkt: 216 · 216-219 °C(lit.)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Wasserlöslichkeit: Slightly soluble in water
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C14H20N3O3.BF4/c1-15(2)14(16(3)4)20-17-12(18)10-8-5-6-9(7-8)11(10)13(17)19;2-1(3,4)5/h5-6,8-11H,7H2,1-4H3;/q+1;-1
InChIKey: DMTWWFCCBWWXSA-UHFFFAOYSA-N
SMILES: [B+3]([F-])([F-])([F-])[F-].O=C1N(C(=O)C2C3C=CC(C3)C12)O/C(=[N+](\C)/C)/N(C)C
CAS Datenbank: 125700 · 125700-73-4(CAS DataBase Reference)