Basic information
- CAS
20021-05-0- Standard SMILES
CC(C)OP(=O)(NCC[N+](C)(C)CCCCCC[N+](C)(C)CCNP(=O)(OC(C)C)OC(C)C)OC(C)C.[Br-].[Br-]- InChIKey
LBXJENYLFRHTAU-UHFFFAOYSA-L- Molecular formula
- C26H62Br2N4O6P2
- Average molar mass
- 748.5 g/mol
- Monoisotopic mass
- 746.25113
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraisopropyl ester
- IUPAC
- 2-[di(propan-2-yloxy)phosphorylamino]ethyl-[6-[2-[di(propan-2-yloxy)phosphorylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Names & synonyms
9019 HC20021-05-0Hexamethylenebis(dimethyl(2-(diisopropylphosphonoamino)ethyl)ammonium bromide)Ammonium, hexamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraisopropyl esterRefChem:319393DTXSID60942018N~1~,N~6~-Bis[2-({bis[(propan-2-yl)oxy]phosphoryl}amino)ethyl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dibromide
Database identifiers
- CAS
20021-05-0- PubChem CID
- 29913
- DTXSID
DTXSID60942018
Properties
Computed structural properties
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 23
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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