benzyl-ethyl-dimethylazanium;mercury;chloride

C11H18ClHgN — CID 174604450

IUPACbenzyl-ethyl-dimethylazanium;mercury;chloride
SMILESCC[N+](C)(C)Cc1ccccc1.[Cl-].[Hg]
InChIInChI=1S/C11H18N.ClH.Hg/c1-4-12(2,3)10-11-8-6-5-7-9-11;;/h5-9H,4,10H2,1-3H3;1H;/q+1;;/p-1
InChIKeyJPHHVXQSEBGBQS-UHFFFAOYSA-M
MW400.32 g/mol
LogP-0.72
Rot. Bonds3

About benzyl-ethyl-dimethylazanium;mercury;chloride

benzyl-ethyl-dimethylazanium;mercury;chloride (PubChem CID 174604450) has the molecular formula C11H18ClHgN and a molecular weight of 400.32 g/mol. Its IUPAC name is benzyl-ethyl-dimethylazanium;mercury;chloride.

Molecular Properties

Compound Namebenzyl-ethyl-dimethylazanium;mercury;chloride
PubChem CID174604450
Molecular FormulaC11H18ClHgN
Molecular Weight400.32 g/mol
Exact Mass401.08
IUPAC Namebenzyl-ethyl-dimethylazanium;mercury;chloride
SMILESCC[N+](C)(C)Cc1ccccc1.[Cl-].[Hg]
InChIInChI=1S/C11H18N.ClH.Hg/c1-4-12(2,3)10-11-8-6-5-7-9-11;;/h5-9H,4,10H2,1-3H3;1H;/q+1;;/p-1
InChIKeyJPHHVXQSEBGBQS-UHFFFAOYSA-M
XLogP-0.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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bis(benzyl-dimethyl-tetradecylazanium);dichloride;hydrate
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bis(benzyl-dimethyl-tetradecylazanium);dichloride;dihydrate
CID 159396332
benzyl-[3-[[3-[[3-[benzyl(dimethyl)azaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropyl]-dimethylazanium tetrachloride
CID 21097406
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Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-dimethylazanium;mercury;chloride?
The IUPAC name of benzyl-ethyl-dimethylazanium;mercury;chloride (CID 174604450) is benzyl-ethyl-dimethylazanium;mercury;chloride.
What is the SMILES notation for benzyl-ethyl-dimethylazanium;mercury;chloride?
The canonical SMILES for benzyl-ethyl-dimethylazanium;mercury;chloride is CC[N+](C)(C)Cc1ccccc1.[Cl-].[Hg].
What is the InChIKey of benzyl-ethyl-dimethylazanium;mercury;chloride?
The InChIKey is JPHHVXQSEBGBQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18N.ClH.Hg/c1-4-12(2,3)10-11-8-6-5-7-9-11;;/h5-9H,4,10H2,1-3H3;1H;/q+1;;/p-1.
What are the key properties of benzyl-ethyl-dimethylazanium;mercury;chloride?
benzyl-ethyl-dimethylazanium;mercury;chloride has a molecular weight of 400.32 g/mol, XLogP of -0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-dimethylazanium;mercury;chloride is sourced from PubChem (CID 174604450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).