Basic information
- CAS
18671-85-7- Standard SMILES
C[N+](C)(CCCCCC[N+](C)(C)CCNP(=O)(Oc1ccccc1)Oc1ccccc1)CCNP(=O)(Oc1ccccc1)Oc1ccccc1.[Br-].[Br-]- InChIKey
CQNWYIYAFLYUAV-UHFFFAOYSA-L- Molecular formula
- C38H54Br2N4O6P2
- Average molar mass
- 884.6 g/mol
- Monoisotopic mass
- 882.18853
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraphenyl ester
- IUPAC
- 2-(diphenoxyphosphorylamino)ethyl-[6-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Names & synonyms
9014 HC18671-85-7Hexamethylenebis(dimethyl(2-(diphenylphosphonoamino)ethyl)ammonium bromide)Ammonium, hexamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraphenyl esterRefChem:319394DTXSID00940139N~1~,N~6~-Bis{2-[(diphenoxyphosphoryl)amino]ethyl}-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dibromide
Database identifiers
- CAS
18671-85-7- PubChem CID
- 29201
- DTXSID
DTXSID00940139
Properties
Computed structural properties
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 23
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 897
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…