Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldiethyl-, dibromide, p-nitrophenyl ester

HCID 29476

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Basic information

CAS: 19143-09-0
Standard SMILES: CC[N+](CC)(CCCNP(=O)(NCCC[N+](CC)(CC)Cc1ccccc1)Oc1ccc([N+](=O)[O-])cc1)Cc1ccccc1.[Br-].[Br-]
InChIKey: IIBSXRUONXELFM-UHFFFAOYSA-L
Molecular formula: C34H52Br2N5O4P
Average molar mass: 785.6 g/mol
Monoisotopic mass: 783.21237

Names & identifiers

Preferred name: Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldiethyl-, dibromide, p-nitrophenyl ester
IUPAC: benzyl-[3-[[[3-[benzyl(diethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-diethylazanium dibromide

Names & synonyms

H.C. 9013(Phosphinicobis(iminotrimethylene))bis(benzyldiethylammonium bromide) p-nitrophenyl ester19143-09-0Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldiethyl-, dibromide, p-nitrophenyl esterRefChem:319111DTXSID809407733,3'-{[(4-Nitrophenoxy)phosphoryl]bis(azanediyl)}bis(N-benzyl-N,N-diethylpropan-1-aminium) dibromide3,3'-{[(4-Nitrophenoxy)phosphoryl]diazanediyl}bis(N-benzyl-N,N-diethylpropan-1-aminium) dibromide

Database identifiers

CAS: 19143-09-0
PubChem CID: 29476
DTXSID: DTXSID80940773

Properties

Computed structural properties

Topological polar surface area: 96.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 20
Heavy atoms: 46
Formal charge: 0
Complexity: 795

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