1-Propylpyridinium bromide

C₈H₁₂BrNCAS 873-71-2202.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂BrN
Molar mass: 202.09 g/mol
Exact mass: 201.0153 Da
logP: -1.61Crippen estimate
Polar surface area: 3.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

873-71-2

SMILES

CCC[N+]1=CC=CC=C1.[Br-]

InChIKey

SAORNRFCWXEYSW-UHFFFAOYSA-M

InChI

InChI=1S/C8H12N.BrH/c1-2-6-9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H/q+1;/p-1

Weigh it out

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

Work with 1-Propylpyridinium bromide

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

1-Butylpyridinium bromide874-80-675 % similar Dodecylpyridinium bromide104-73-469 % similar Cetylpyridinium bromide140-72-769 % similar Octylpyridinium bromide2534-66-969 % similar Ethylpyridinium bromide1906-79-258 % similar Butylpyridinium chloride1124-64-756 % similar Dodecylpyridinium chloride104-74-552 % similar Cetylpyridinium chloride123-03-552 % similar

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

Elsewhere

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