chloromethyl(trimethyl)azanium;manganese(2+);trichloride

C4H11Cl4MnN — CID 175556370

IUPACchloromethyl(trimethyl)azanium;manganese(2+);trichloride
SMILESC[N+](C)(C)CCl.[Cl-].[Cl-].[Cl-].[Mn+2]
InChIInChI=1S/C4H11ClN.3ClH.Mn/c1-6(2,3)4-5;;;;/h4H2,1-3H3;3*1H;/q+1;;;;+2/p-3
InChIKeyODVUGICNHRLBIB-UHFFFAOYSA-K
MW269.89 g/mol
LogP-8.10
Rot. Bonds1

About chloromethyl(trimethyl)azanium;manganese(2+);trichloride

chloromethyl(trimethyl)azanium;manganese(2+);trichloride (PubChem CID 175556370) has the molecular formula C4H11Cl4MnN and a molecular weight of 269.89 g/mol. Its IUPAC name is chloromethyl(trimethyl)azanium;manganese(2+);trichloride.

Molecular Properties

Compound Namechloromethyl(trimethyl)azanium;manganese(2+);trichloride
PubChem CID175556370
Molecular FormulaC4H11Cl4MnN
Molecular Weight269.89 g/mol
Exact Mass267.90
IUPAC Namechloromethyl(trimethyl)azanium;manganese(2+);trichloride
SMILESC[N+](C)(C)CCl.[Cl-].[Cl-].[Cl-].[Mn+2]
InChIInChI=1S/C4H11ClN.3ClH.Mn/c1-6(2,3)4-5;;;;/h4H2,1-3H3;3*1H;/q+1;;;;+2/p-3
InChIKeyODVUGICNHRLBIB-UHFFFAOYSA-K
XLogP-8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.89
LogP ≤ 5-8.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethyl(trimethyl)azanium;manganese(2+);trichloride?
The IUPAC name of chloromethyl(trimethyl)azanium;manganese(2+);trichloride (CID 175556370) is chloromethyl(trimethyl)azanium;manganese(2+);trichloride.
What is the SMILES notation for chloromethyl(trimethyl)azanium;manganese(2+);trichloride?
The canonical SMILES for chloromethyl(trimethyl)azanium;manganese(2+);trichloride is C[N+](C)(C)CCl.[Cl-].[Cl-].[Cl-].[Mn+2].
What is the InChIKey of chloromethyl(trimethyl)azanium;manganese(2+);trichloride?
The InChIKey is ODVUGICNHRLBIB-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H11ClN.3ClH.Mn/c1-6(2,3)4-5;;;;/h4H2,1-3H3;3*1H;/q+1;;;;+2/p-3.
What are the key properties of chloromethyl(trimethyl)azanium;manganese(2+);trichloride?
chloromethyl(trimethyl)azanium;manganese(2+);trichloride has a molecular weight of 269.89 g/mol, XLogP of -8.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(trimethyl)azanium;manganese(2+);trichloride is sourced from PubChem (CID 175556370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).