Basic information
- CAS
35231-86-8- Standard SMILES
CCN(CC[N+](C)(C)CCCCCC[N+](C)(C)CCN(CC)P(=O)(Oc1ccccc1C)Oc1ccccc1C)P(=O)(Oc1ccccc1C)Oc1ccccc1C.[Br-].[Br-]- InChIKey
UQEOXDMYJXKECO-UHFFFAOYSA-L- Molecular formula
- C46H70Br2N4O6P2
- Average molar mass
- 996.8 g/mol
- Monoisotopic mass
- 994.31374
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis((2-ethylaminoethyl)dimethyl-, dibromide, diester with di-o-cresylphosphoramide
- IUPAC
- 2-[bis(2-methylphenoxy)phosphoryl-ethylamino]ethyl-[6-[2-[bis(2-methylphenoxy)phosphoryl-ethylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Names & synonyms
35231-86-8Ammonium, hexamethylenebis((2-ethylaminoethyl)dimethyl-, dibromide, diester with di-o-cresylphosphoramideRefChem:1076887
Database identifiers
- CAS
35231-86-8- PubChem CID
- 215211
Properties
Computed structural properties
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 25
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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