Basic information
- CAS
20021-06-1- Standard SMILES
CC(C)OP(=O)(NCC[N+](C)(C)CCCCCCCC[N+](C)(C)CCNP(=O)(OC(C)C)OC(C)C)OC(C)C.[Br-].[Br-]- InChIKey
YFLRYKFUAAKYOP-UHFFFAOYSA-L- Molecular formula
- C28H66Br2N4O6P2
- Average molar mass
- 776.6 g/mol
- Monoisotopic mass
- 774.28243
Names & identifiers
- Preferred name
- Ammonium, octamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraisopropyl ester
- IUPAC
- 2-[di(propan-2-yloxy)phosphorylamino]ethyl-[8-[2-[di(propan-2-yloxy)phosphorylamino]ethyl-dimethylazaniumyl]octyl]-dimethylazanium dibromide
Names & synonyms
9020 HC20021-06-1Octamethylenebis(dimethyl(2-(diisopropylphosphonoamino)ethyl)ammonium bromide)Ammonium, octamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraisopropyl esterRefChem:319437DTXSID20942019N~1~,N~8~-Bis[2-({bis[(propan-2-yl)oxy]phosphoryl}amino)ethyl]-N~1~,N~1~,N~8~,N~8~-tetramethyloctane-1,8-bis(aminium) dibromide
Database identifiers
- CAS
20021-06-1- PubChem CID
- 29915
- DTXSID
DTXSID20942019
Properties
Computed structural properties
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 25
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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