O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate

C11H16BF4N5OCAS 125700-67-6321.09 g/mol

NNNN+O−N+FB−FFF

Properties

Molecular formula
C11H16BF4N5O
Molar mass
321.09 g/mol
Exact mass
321.1384 Da
logP
1.01Crippen estimate
Polar surface area
51.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
125700-67-6
SMILES
CN(C)C(n1n[n+]([O-])c2ccccc21)=[N+](C)C.F[B-](F)(F)F
InChIKey
ZXZJCMUCQIOBGO-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N5O.BF4/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1

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Names and synonyms

7 names
  • 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, tetrafluoroborate(1-) (1:1)
  • 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, tetrafluoroborate(1-)
  • TBTU
  • O-Benzotriazolyl tetramethylisouronium tetrafluoroborate
  • (Benzotriazol-1-yloxy-dimethylamino-methylene)dimethylammonium tetrafluoroborate
  • 2-(1H-Benzotriazol-1-yl)-N,N,N′,N′-tetramethylammonium tetrafluoroborate
  • O-Benzotriazol-1-yl-tetramethyluronium tetrafluoroborate

Work with O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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