Basic information
- CAS
47312-91-4- Standard SMILES
CCCCCCCCCCCCc1ccc(C[N+](C)(C)C)cc1- InChIKey
QBHPUAZVNMMJCX-UHFFFAOYSA-N- Molecular formula
- C22H40N+
- Average molar mass
- 318.6 g/mol
- Monoisotopic mass
- 318.31607528
Names & identifiers
- Preferred name
- P-laurylbenzyltrimethylammonium
- IUPAC
- (4-dodecylphenyl)methyl-trimethylazanium
Names & synonyms
P-laurylbenzyltrimethylammoniumP-laurylbenzyltrimethylammonium cationUNII-H429A84I1147312-91-4Benzenemethanaminium, 4-dodecyl-N,N,N-trimethyl-H429A84I11(4-dodecylphenyl)-n,n,n-trimethylmethanaminiumSCHEMBL12114083DTXSID00197101Q27279620Benzenemethanaminiuma, 4-adodecyl-aN,aN,aN-atrimethyl-
Database identifiers
- CAS
47312-91-4- PubChem CID
- 52034
- DTXSID
DTXSID00197101- UNII
- H429A84I11
- Nikkaji
- J221.288I
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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