[4-[[Bis(2-hydroxyethyl)-octadecylazaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecylazanium
Basic information
- CAS
1630-27-9- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccc(C[N+](CCO)(CCO)CCCCCCCCCCCCCCCCCC)cc1- InChIKey
LWOYJPWSAKWPAW-UHFFFAOYSA-N- Molecular formula
- C52H102N2O4+2
- Average molar mass
- 819.4 g/mol
- Monoisotopic mass
- 818.78395974
Names & identifiers
- Preferred name
- [4-[[Bis(2-hydroxyethyl)-octadecylazaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecylazanium
- IUPAC
- [4-[[bis(2-hydroxyethyl)-octadecylazaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecylazanium
Names & synonyms
1630-27-9NSC176712[4-[[bis(2-hydroxyethyl)-octadecylazaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecylazaniumDTXSID00330011NSC-176712N,N'-[1,4-Phenylenebis(methylene)]bis[N,N-bis(2-hydroxyethyl)octadecan-1-aminium]
Database identifiers
- CAS
1630-27-9- PubChem CID
- 425836
- DTXSID
DTXSID00330011
Properties
Computed structural properties
- XLogP
- 16.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 46
- Heavy atoms
- 58
- Formal charge
- 2
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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