1-Butyl-4-methylpyridinium bromide
Properties
- Molecular formula
- C10H16BrN
- Molar mass
- 230.15 g/mol
- Exact mass
- 229.0466 Da
- logP
- -0.91Crippen estimate
- Polar surface area
- 3.9 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation97.5% of notifiers
- H319 Causes serious eye irritation97.5% of notifiers
- H335 May cause respiratory irritation95% of notifiers
Aggregated from 40 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
65350-59-6SMILES
CCCC[N+]1=CC=C(C=C1)C.[Br-]InChIKey
UWVZAZVPOZTKNM-UHFFFAOYSA-MInChI
InChI=1S/C10H16N.BrH/c1-3-4-7-11-8-5-10(2)6-9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 1-Butyl-4-methylpyridinium bromide
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.
Similar compounds
1-Butylpyridinium bromide874-80-662 % similar
1,1′-Diheptyl-4,4′-bipyridinium dibromide6159-05-361 % similar
Dodecylpyridinium bromide104-73-453 % similar
Cetylpyridinium bromide140-72-753 % similar
Octylpyridinium bromide2534-66-953 % similar
3-Methyl-N-butylpyridinium chloride125652-55-353 % similar
N-Butyl-3-methylpyridinium hexafluorophosphate845835-03-253 % similar
Butylpyridinium chloride1124-64-747 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds