2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate

C₇H₁₄ClF₆N₂PCAS 291756-76-8306.62 g/mol

Open in Covalent MOL file

Alkene Tertiary amine Vinyl halide

Properties

Molecular formula: C₇H₁₄ClF₆N₂P
Molar mass: 306.62 g/mol
Exact mass: 306.0487 Da
logP: 4.35Crippen estimate
Polar surface area: 6.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2
Double bonds: ZE/Z, in SMILES order

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

291756-76-8

SMILES

CN(C)/C=C(/C=[N+](C)C)\Cl.F[P-](F)(F)(F)(F)F

InChIKey

PIUHAULDXSPPQV-UHFFFAOYSA-N

InChI

InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1

Weigh it out

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Names and synonyms

1 names

2-Chloro-1,3-dimethylamino trimethinium hexafluorophosphate

Work with 2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate

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.

2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate249561-98-6Stereo not defined

Elsewhere

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