Basic information
- CAS
36530-91-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO- InChIKey
WYRIQSJBDPBLDQ-UHFFFAOYSA-O- Molecular formula
- C25H53N2O2+
- Average molar mass
- 413.7 g/mol
- Monoisotopic mass
- 413.41070394
Names & identifiers
- Preferred name
- 2-Hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
- IUPAC
- 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
- English name
- N-(2-hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium
- Molecular weight
- 0
Names & synonyms
36530-91-3SCHEMBL1977486DTXSID10274639WYRIQSJBDPBLDQ-UHFFFAOYSA-ON-(2-Hydroxyethyl)-N,N-dimethyl-3-octadecanamidopropan-1-aminiumAmidopropyl alkyl hydroxyethyl dimethylammonium compound C18 (apAhEDMAC C18)N-(2-hydroxyethyl)-N,N-dimethyl-3-[(1-oxo-octadecyl)amino]-1-propanaminium
Database identifiers
- CAS
36530-91-3- PubChem CID
- 19574
- DTXSID
DTXSID10274639- Nikkaji
- J106.775C
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 22
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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