chempirical

2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate

C9H16BF4N3O3CAS 105832-38-0301.05 g/mol

Open in Covalent MOL file
B−FFFFNN+ONOO
AmideLactam

Properties

Molecular formula
C9H16BF4N3O3
Molar mass
301.05 g/mol
Exact mass
301.1221 Da
logP
0.56Crippen estimate
Polar surface area
52.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
105832-38-0
SMILES
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)CCC1=O
InChIKey
YEBLHMRPZHNTEK-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N3O3.BF4/c1-10(2)9(11(3)4)15-12-7(13)5-6-8(12)14;2-1(3,4)5/h5-6H2,1-4H3;/q+1;-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Tstu

Work with 2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate

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

2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-73-459 % similar 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-71-241 % similar Acetic acid N-hydroxysuccinimide ester14464-29-037 % similar N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate125700-69-836 % similar Disuccinimidyl carbonate74124-79-136 % similar tert-Butyl succinimidyl carbonate13139-12-336 % similar Disuccinimidyl glutarate79642-50-534 % similar Disuccinimidyl suberate68528-80-333 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook