Basic information
- CAS
2315-39-1- Standard SMILES
CCCCCCCCCCCCCCCC[n+]1cccc(C)c1.[Br-]- InChIKey
HKOMMZBXDSXZHH-UHFFFAOYSA-M- Molecular formula
- C22H40BrN
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 397.23441
Names & identifiers
- Preferred name
- Pyridinium, 1-hexadecyl-3-methyl-, bromide (1:1)
- IUPAC
- 1-hexadecyl-3-methylpyridin-1-ium bromide
- English name
- Pyridinium,1-hexadecyl-3-methyl-,bromide
- Molecular formula
- C22H40BrN
- Molecular weight
- 398.4637
Names & synonyms
Cetyl-beta-picolinium bromide2315-39-1Pyridinium, 1-hexadecyl-3-methyl-, bromidePyridinium, 1-hexadecyl-3-methyl-, bromide (1:1)DTXSID10883826RefChem:177656DTXCID4010233121-hexadecyl-3-methylpyridin-1-ium bromideSCHEMBL9357962HKOMMZBXDSXZHH-UHFFFAOYSA-MPyridinium,1-hexadecyl-3-methyl-,bromide
Database identifiers
- CAS
2315-39-1- PubChem CID
- 75336
- DTXSID
DTXSID10883826
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- EPA Substance Registry System
- 1 · Pyridinium, 1-hexadecyl-3-methyl-, bromide (2315-39-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 1-hexadecyl-3-methyl-, bromide (1:1): INACTIVE
Suppliers1 total
苏州星北医药科技有限公司0512-0512-68437753 13861119411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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