sodium;tetramethylazanium;dichloride

C4H12Cl2NNa — CID 173400677

IUPACsodium;tetramethylazanium;dichloride
SMILESC[N+](C)(C)C.[Cl-].[Cl-].[Na+]
InChIInChI=1S/C4H12N.2ClH.Na/c1-5(2,3)4;;;/h1-4H3;2*1H;/q+1;;;+1/p-2
InChIKeyFRDOAIJBUZREEQ-UHFFFAOYSA-L
MW168.04 g/mol
LogP-8.67
Rot. Bonds

About sodium;tetramethylazanium;dichloride

sodium;tetramethylazanium;dichloride (PubChem CID 173400677) has the molecular formula C4H12Cl2NNa and a molecular weight of 168.04 g/mol. Its IUPAC name is sodium;tetramethylazanium;dichloride.

Molecular Properties

Compound Namesodium;tetramethylazanium;dichloride
PubChem CID173400677
Molecular FormulaC4H12Cl2NNa
Molecular Weight168.04 g/mol
Exact Mass167.02
IUPAC Namesodium;tetramethylazanium;dichloride
SMILESC[N+](C)(C)C.[Cl-].[Cl-].[Na+]
InChIInChI=1S/C4H12N.2ClH.Na/c1-5(2,3)4;;;/h1-4H3;2*1H;/q+1;;;+1/p-2
InChIKeyFRDOAIJBUZREEQ-UHFFFAOYSA-L
XLogP-8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 5-8.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;tetramethylazanium;dichloride?
The IUPAC name of sodium;tetramethylazanium;dichloride (CID 173400677) is sodium;tetramethylazanium;dichloride.
What is the SMILES notation for sodium;tetramethylazanium;dichloride?
The canonical SMILES for sodium;tetramethylazanium;dichloride is C[N+](C)(C)C.[Cl-].[Cl-].[Na+].
What is the InChIKey of sodium;tetramethylazanium;dichloride?
The InChIKey is FRDOAIJBUZREEQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H12N.2ClH.Na/c1-5(2,3)4;;;/h1-4H3;2*1H;/q+1;;;+1/p-2.
What are the key properties of sodium;tetramethylazanium;dichloride?
sodium;tetramethylazanium;dichloride has a molecular weight of 168.04 g/mol, XLogP of -8.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tetramethylazanium;dichloride is sourced from PubChem (CID 173400677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).