Ammonium, octamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraphenyl ester

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Basic information

CAS: 18671-87-9
Standard SMILES: C[N+](C)(CCCCCCCC[N+](C)(C)CCNP(=O)(Oc1ccccc1)Oc1ccccc1)CCNP(=O)(Oc1ccccc1)Oc1ccccc1.[Br-].[Br-]
InChIKey: NUMXJCFSROHULO-UHFFFAOYSA-L
Molecular formula: C40H58Br2N4O6P2
Average molar mass: 912.7 g/mol
Monoisotopic mass: 910.21983

Names & identifiers

Preferred name: Ammonium, octamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraphenyl ester
IUPAC: 2-(diphenoxyphosphorylamino)ethyl-[8-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]octyl]-dimethylazanium dibromide

Names & synonyms

9015 HC18671-87-9Octamethylenebis(dimethyl(2-(diphenylphosphonoamino)ethyl)ammonium bromide)Ammonium, octamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraphenyl esterRefChem:319438DTXSID10940140N~1~,N~8~-Bis{2-[(diphenoxyphosphoryl)amino]ethyl}-N~1~,N~1~,N~8~,N~8~-tetramethyloctane-1,8-bis(aminium) dibromide

Database identifiers

CAS: 18671-87-9
PubChem CID: 29203
DTXSID: DTXSID10940140

Properties

Computed structural properties

Topological polar surface area: 95.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 25
Heavy atoms: 54
Formal charge: 0
Complexity: 927

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Compound notes

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