1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium tetrafluoroborate

C9H16BClF4N2CAS 115007-14-2274.49 g/mol

Open in Covalent MOL file
B−FFFFNN+Cl

Properties

Molecular formula
C9H16BClF4N2
Molar mass
274.49 g/mol
Exact mass
274.1031 Da
logP
2.78Crippen estimate
Polar surface area
6.3 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
115007-14-2
SMILES
[B-](F)(F)(F)F.C1CCN(C1)C(=[N+]2CCCC2)Cl
InChIKey
NRROZYAIGHAMHH-UHFFFAOYSA-N
InChI
InChI=1S/C9H16ClN2.BF4/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;2-1(3,4)5/h1-8H2;/q+1;-1

Weigh it out

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Work with 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium 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.

1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate135540-11-3Salt

Similar compounds

Chlorodipiperidinocarbenium hexafluorophosphate161308-40-366 % similar Bis(tetramethylene)fluoroformamidinium hexafluorophosphate164298-25-339 % similar N,N,N',N'-Bis(tetramethylene)-O-(N-succinimidyl)uronium Hexafluorophosphate207683-26-930 % similar 1-Pyrrolidinecarbonyl chloride1192-63-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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