O-(2-Oxo-1(2H)-pyridyl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate

HCID 2733204

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Grundinformationen

CAS: 125700-71-2
Standard-SMILES: CN(C)C(On1ccccc1=O)=[N+](C)C.F[B-](F)(F)F
InChIKey: CZQGINAUZYECAI-UHFFFAOYSA-N
Summenformel: C10H16BF4N3O2
Durchschnittliche Molmasse: 297,06 g/mol
Monoisotopische Masse: 297,12717003

Namen und Bezeichner

Bevorzugter Name: O-(2-Oxo-1(2H)-pyridyl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate
IUPAC: [dimethylamino-[(2-oxo-1-pyridinyl)oxy]methylidene]-dimethylazanium tetrafluoroborate
Englischer Name: 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate
Summenformel: C10H16N3O2.BF4
Molmasse: 297.06

Namen und Synonyme

125700-71-2O-(2-Oxo-1(2H)-pyridyl)-N,N,N',N'-tetramethyluronium TetrafluoroborateO-[2-Oxo-1(2H)-pyridyl]-N,N,N',N'-tetramethyluronium TetrafluoroborateRefChem:855115681-190-8TPTU2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborateO-(2-Oxo-1(2H)pyridyl)-N,N,N',N'-tetramethyluronium tetrafluoroborateMFCD00075475Methanaminium, N-[(dimethylamino)[(2-oxo-1(2H)-pyridinyl)oxy]methylene]-N-methyl-, tetrafluoroborate(1-) (1:1)o-(1,2-dihydro-2-oxo-1-pyridyl)-n,n,n',n'-tetramethyluronium tetrafluoroborate[dimethylamino-(2-oxopyridin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate

Weitere Namen anzeigen

O-(1,2-DIHYDRO-2-OXO-PYRIDYL)- -1,1,3,3-TETRAMETHYLURONIUM TETRAFLUOROBORATE(HPTU)dihydrTOPPYUTPTU (TOPPyU)O-(1 2-DIHYDRO-2-OXO-1-PYRIDYL)-N N N' &O-(1,2-Dihydro-2-oxo-1-pyridyl)-N,N,N′-N′-tO-(2-Oxo-1(2H)pyridyl)-N,N,N′,N′-tetramethylurO-(2-Oxo-1(2H)pyridyl)-N,N,N′,N′-tetramethyluron

[(dimethylamino)[(2-oxopyridin-1-yl)oxy]methylidene]dimethylazanium tetrafluoroborateO-(1,2-Dihydro-2-oxo-pyridyl-1,1,3,3-tetramethyluronium tetrafluoroborateC10H16BF4N3O2O-(1,2-dihydro-2-oxo-pyridyl)- -1,1,3,3-tetramethyluronium tetrafluoroborateSCHEMBL5870SCHEMBL5871TPTU [O-(1,2-dihydro-2-oxo-pyridyl)-1,1,3,3-tetramethyluronium tetrafluoroborate]DTXSID50369790

Datenbank-Bezeichner

CAS: 125700-71-2
PubChem CID: 2733204
DTXSID: DTXSID50369790
EC Number: 681-190-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 35,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 345

Physikochemische Eigenschaften

Schmelzpunkt: 140 °C · 140 °C (dec.)(lit.)
storage temp.: 2 · 2-8°C
Löslichkeit: 1 % · Soluble in water or 1% acetic acid
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: insoluble
Major Application: peptide synthesis
InChI: InChI=1S/C10H16N3O2.BF4/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
InChIKey: HBQDCKPPSIWZLY-UHFFFAOYSA-M
SMILES: N1(C=CC=CC1=O)O/C(=[N+](/C)\C)/N(C)C.[B-](F)(F)(F)F
CAS Datenbank: 125700 · 125700-71-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.