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

C₉H₁₆BF₄N₃O₃CAS 105832-38-0301.05 g/mol

Open in Covalent MOL file

Amide Lactam

Properties

Molecular formula: C₉H₁₆BF₄N₃O₃
Molar mass: 301.05 g/mol
Exact mass: 301.1221 Da
logP: 0.56Crippen estimate
Polar surface area: 52.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.5% of notifiers
H315 Causes skin irritation94.5% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H335 May cause respiratory irritation96.4% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

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.

(Dimethylamino)((2,5-dioxopyrrolidin-1-yl)oxy)-N,N-dimethylmethaniminium hexafluorophosphate265651-18-1Salt

Similar compounds

2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-73-459 % similar Totu136849-72-443 % 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 Di(succinimido) carbonate74124-79-136 % similar tert-Butyl succinimidyl carbonate13139-12-336 % similar 2-(7-Azabenzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate873798-09-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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