1-(Bis(dimethylamino)methylene)-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide
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
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
94790-37-1SMILES
CN(C)C(n1n[n+]([O-])c2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)FInChIKey
BSKUEERROYGAFF-UHFFFAOYSA-NInChI
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;-1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Hbtu
- 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 1-(Bis(dimethylamino)methylene)-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds