chempirical

Hbtu

C11H16F6N5OPCAS 94790-37-1379.25 g/mol

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Properties

Molecular formula
C11H16F6N5OP
Molar mass
379.25 g/mol
Exact mass
379.0997 Da
logP
3.09Crippen estimate
Polar surface area
51.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
94790-37-1
SMILES
CN(C)C(n1n[n+]([O-])c2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIKey
BSKUEERROYGAFF-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N5O.F6P/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1

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Names and synonyms

4 names
  • 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, hexafluorophosphate(1-) (1:1)
  • 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, hexafluorophosphate(1-), 3-oxide
  • N-HBTU
  • 1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide

Work with Hbtu

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate125700-67-679 % similar Hctu330645-87-972 % similar Hatu148893-10-171 % similar Tctu330641-16-257 % similar

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

Elsewhere

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