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

HCID 14309593CAS 125700-73-4

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Basic information

Standard SMILES: CN(C)C(ON1C(=O)C2C3C=CC(C3)C2C1=O)=[N+](C)C.F[B-](F)(F)F
InChIKey: DMTWWFCCBWWXSA-UHFFFAOYSA-N
Molecular formula: C14H20BF4N3O3
Average molar mass: 365.13 g/mol
Monoisotopic mass: 365.1533843

Names & identifiers

Preferred 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
English name: 2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate
Molecular formula: C14H20N3O3.BF4
Molecular weight: 365.13

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 510

Physicochemical properties

Melting point: 216 · 216-219 °C(lit.)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Water Solubility: Slightly soluble in water
form: powder to crystal
color: White to Almost white
Sensitive: Moisture & Light Sensitive
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 DataBase Reference: 125700 · 125700-73-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P261-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-37/39
RIDADR: 1759 · 1759
WGK Germany: 3 · 3
F: 8 · 8-10-21
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29280000 · 29280000