Basic information
- CAS
2315-40-4- Standard SMILES
CCCCCCCCCCCCCCCC[n+]1ccc(C)cc1.[Br-]- InChIKey
UFXSTPIFUFQVRP-UHFFFAOYSA-M- Molecular formula
- C22H40BrN
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 397.23441
Names & identifiers
- Preferred name
- Cetylpicolinium bromide
- IUPAC
- 1-hexadecyl-4-methylpyridin-1-ium bromide
- English name
- Cetylpicoliniumbromide
- Molecular formula
- C22H40N.Br
- Molecular weight
- 398.46
Names & synonyms
Cetylpicolinium bromideCetyl picolinium bromideCetyl-gamma-picolinium bromidePyridinium, 1-hexadecyl-4-methyl-, bromideUNII-375671GIKB375671GIKBPyridinium, 1-hexadecyl-4-methyl-, bromide (1:1)DTXSID1041760CETYL-4-PICOLINIUM BROMIDE1-hexadecyl-4-methylpyridinium bromideCETYL-.GAMMA.-PICOLINIUM BROMIDE1-HEXADECYL-4-PICOLINIUM BROMIDE
Show more names
Cetylpicoliniumbromide
RefChem:124726DTXCID90217602315-40-41-hexadecyl-4-methylpyridin-1-ium bromideSCHEMBL9362504UFXSTPIFUFQVRP-UHFFFAOYSA-MN-cetyl-4-methylpyridinium bromideNS00124320
Database identifiers
- CAS
2315-40-4- PubChem CID
- 75338
- DTXSID
DTXSID1041760- UNII
- 375671GIKB
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
- 230
Physicochemical properties
- Melting point
- 75 · 75-77 °C
- FDA UNII
- 375671 GIKB · 375671GIKB
- EPA Substance Registry System
- Cetyl picolinium bromide (2315-40-4)
- 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-4-methyl-, bromide (1:1): INACTIVE
Suppliers2 total
安阳鸿蒙新材料有限公司19588588067 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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