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Ammonium, (m-phenylenebis(1-methylethylene))bis(benzyldimethyl-, dichloride

HCID 21146
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Basic information

CAS
5060-59-3
Standard SMILES
CC(C[N+](C)(C)Cc1ccccc1)c1cccc(C(C)C[N+](C)(C)Cc2ccccc2)c1.[Cl-].[Cl-]
InChIKey
ZFMLJYPZGZCZAJ-UHFFFAOYSA-L
Molecular formula
C30H42Cl2N2
Average molar mass
501.6 g/mol
Monoisotopic mass
500.2725047

Names & identifiers

Preferred name
Ammonium, (m-phenylenebis(1-methylethylene))bis(benzyldimethyl-, dichloride
IUPAC
benzyl-[2-[3-[1-[benzyl(dimethyl)azaniumyl]propan-2-yl]phenyl]propyl]-dimethylazanium dichloride

Names & synonyms

AMMONIUM, (m-PHENYLENEBIS(1-METHYLETHYLENE))BIS(BENZYLDIMETHYL-, DICHLORIDE5060-59-3RefChem:1076810m-Phenylenebis(1-methylethylene)bis(benzyldimethylammonium chloride)Phenylene-m,m'-di-(2-dimethylbenzylammoniumpropyl) dichloride1,3-Benzenediethanaminium, N,N,N',N',alpha,alpha'-hexamethyl-N,N'-bis(phenylmethyl)-, 2ClDTXSID809648382,2'-(1,3-Phenylene)bis(N-benzyl-N,N-dimethylpropan-1-aminium) dichloride

Database identifiers

CAS
5060-59-3
PubChem CID
21146
DTXSID
DTXSID80964838

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
34
Formal charge
0
Complexity
481

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Compound notes

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