Basic information
- CAS
84454-87-5- Standard SMILES
C=CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCC.[Br-]- InChIKey
NUWYFAYDFUREIT-UHFFFAOYSA-M- Molecular formula
- C40H78BrNO4
- Average molar mass
- 717 g/mol
- Monoisotopic mass
- 715.51142
Overview
surfactant vesicle; structure in first source; RN refers to the bromide compound
Names & identifiers
- Preferred name
- N-Allylbis(2-(hexadecanoyloxy)ethyl)methylammonium
- IUPAC
- bis(2-hexadecanoyloxyethyl)-methyl-prop-2-enylazanium bromide
- English name
- N-allylbis(2-(hexadecanoyloxy)ethyl)methylammonium
- Molecular formula
- Br*C40H78NO4
- Molecular weight
- 0
Names & synonyms
Abhema84454-87-5N-Allylbis(2-(hexadecanoyloxy)ethyl)methylammoniumRefChem:162845SCHEMBL31050972bis(2-hexadecanoyloxyethyl)-methyl-prop-2-enylazanium;bromideDTXSID001004716N-Allylbis(2-(hexadecanoyloxy)ethyl)methylammonium bromideN,N-bis[2-(hexadecanoyloxy)ethyl]-N-methylprop-2-en-1-aminium bromideReaxys ID: 5706955
Database identifiers
- CAS
84454-87-5- PubChem CID
- 196282
- DTXSID
DTXSID001004716
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 38
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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