Dodecylpyridinium chloride
Properties
- Molecular formula
- C17H30ClN
- Molar mass
- 283.88 g/mol
- Exact mass
- 283.2067 Da
- Density
- 0.982 g/mL (at 25 °C)
- Melting point
- 71 °C
- Boiling point
- 160 °C
- logP
- 1.90Crippen estimate
- Polar surface area
- 3.9 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 11
Hazards
Danger
- H301 Toxic if swallowed96.4% of notifiers
- H312 Harmful in contact with skin92.9% of notifiers
- H315 Causes skin irritation96.4% of notifiers
- H317 May cause an allergic skin reaction89.3% of notifiers
- H318 Causes serious eye damage82.1% of notifiers
- H319 Causes serious eye irritation17.9% of notifiers
- H400 Very toxic to aquatic life89.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects89.3% of notifiers
Aggregated from 28 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
104-74-5SMILES
CCCCCCCCCCCC[n+]1ccccc1.[Cl-]InChIKey
GKQHIYSTBXDYNQ-UHFFFAOYSA-MInChI
InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
20 names · show all
- Pyridinium, 1-dodecyl-, chloride (1:1)
- Pyridinium, 1-dodecyl-, chloride
- 1-Dodecylpyridinium chloride
- C 2
- DPC
- Laurylpyridinium chloride
- LPC
- N-Dodecylpyridinium chloride
- Dehyquart C
- Eltren
- N-Laurylpyridinium chloride
- Quaternario LPC
- 1-Laurylpyridinium chloride
- Dodecanepyridinium chloride
- 1-n-Dodecanepyridinium chloride
- Newkalgen B 251
- DDPCl
- DPC (onium compound)
- Pionin B 251
- Pionin B 117L
Work with Dodecylpyridinium chloride
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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
Similar compounds
Cetylpyridinium chloride123-03-5100 % similar
Tetradecylpyridinium chloride2785-54-8100 % similar
Cetylpyridinium chloride monohydrate6004-24-689 % similar
Butylpyridinium chloride1124-64-784 % similar
Cetylpyridinium bromide140-72-778 % similar
Octylpyridinium bromide2534-66-978 % similar
1-Butylpyridinium bromide874-80-664 % similar
1-Butylpyridinium hexafluorophosphate186088-50-660 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.