Eicosanyl-dimethyl-benzylammonium chloride
Basic information
- CAS
37557-89-4- Standard SMILES
CCCCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
XBHPFRCEQRQWBS-UHFFFAOYSA-M- Molecular formula
- C29H54ClN
- Average molar mass
- 452.2 g/mol
- Monoisotopic mass
- 451.3944784
Names & identifiers
- Preferred name
- Eicosanyl-dimethyl-benzylammonium chloride
- IUPAC
- benzyl-icosyl-dimethylazanium chloride
Names & synonyms
Eicosanyl-dimethyl-benzylammonium chloride37557-89-4N-Benzyl-N,N-dimethylicosan-1-aminium chlorideAMMONIUM, BENZYLDIMETHYLEICOSANYL-, CHLORIDEN-Eicosyl-N,N-dimethylbenzenemethanaminium chlorideBenzenemethanaminium, N-eicosyl-N,N-dimethyl-, chlorideSCHEMBL4624277DTXSID90958627
Database identifiers
- CAS
37557-89-4- PubChem CID
- 37781
- DTXSID
DTXSID90958627
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 21
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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