Ammonium, (phosphinicobis(iminoethylene))bis(trimethyl-, dibromide, p-tolyl ester

HCID 30469

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Basic information

CAS: 21078-11-5
Standard SMILES: Cc1ccc(OP(=O)(NCC[N+](C)(C)C)NCC[N+](C)(C)C)cc1.[Br-].[Br-]
InChIKey: CRAXTLNDFVJQDV-UHFFFAOYSA-L
Molecular formula: C17H35Br2N4O2P
Average molar mass: 518.3 g/mol
Monoisotopic mass: 516.08644

Names & identifiers

Preferred name: Ammonium, (phosphinicobis(iminoethylene))bis(trimethyl-, dibromide, p-tolyl ester
IUPAC: trimethyl-[2-[[(4-methylphenoxy)-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium dibromide

Names & synonyms

9002 HC21078-11-5(p-Tolylphosphinicobis(iminoethylene))bis(trimethylammonium bromide)Ammonium, (phosphinicobis(iminoethylene))bis(trimethyl-, dibromide, p-tolyl esterRefChem:319108trimethyl-[2-[[(4-methylphenoxy)-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium dibromideDTXSID809433852,2'-{[(4-Methylphenoxy)phosphoryl]bis(azanediyl)}bis(N,N,N-trimethylethan-1-aminium) dibromide2,2'-{[(4-Methylphenoxy)phosphoryl]diazanediyl}bis(N,N,N-trimethylethan-1-aminium) dibromide

Database identifiers

CAS: 21078-11-5
PubChem CID: 30469
DTXSID: DTXSID80943385

Properties

Computed structural properties

Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 26
Formal charge: 0
Complexity: 386

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