bis(tetramethylazanium);chloride;hydroxide

C8H25ClN2O — CID 57489840

IUPACbis(tetramethylazanium);chloride;hydroxide
SMILESC[N+](C)(C)C.C[N+](C)(C)C.[Cl-].[OH-]
InChIInChI=1S/2C4H12N.ClH.H2O/c2*1-5(2,3)4;;/h2*1-4H3;1H;1H2/q2*+1;;/p-2
InChIKeySHCSTZVSTVNCAY-UHFFFAOYSA-L
MW200.75 g/mol
LogP-2.53
Rot. Bonds

About bis(tetramethylazanium);chloride;hydroxide

bis(tetramethylazanium);chloride;hydroxide (PubChem CID 57489840) has the molecular formula C8H25ClN2O and a molecular weight of 200.75 g/mol. Its IUPAC name is bis(tetramethylazanium);chloride;hydroxide.

Molecular Properties

Compound Namebis(tetramethylazanium);chloride;hydroxide
PubChem CID57489840
Molecular FormulaC8H25ClN2O
Molecular Weight200.75 g/mol
Exact Mass200.17
IUPAC Namebis(tetramethylazanium);chloride;hydroxide
SMILESC[N+](C)(C)C.C[N+](C)(C)C.[Cl-].[OH-]
InChIInChI=1S/2C4H12N.ClH.H2O/c2*1-5(2,3)4;;/h2*1-4H3;1H;1H2/q2*+1;;/p-2
InChIKeySHCSTZVSTVNCAY-UHFFFAOYSA-L
XLogP-2.53
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 bis(tetramethylazanium);chloride;hydroxide?
The IUPAC name of bis(tetramethylazanium);chloride;hydroxide (CID 57489840) is bis(tetramethylazanium);chloride;hydroxide.
What is the SMILES notation for bis(tetramethylazanium);chloride;hydroxide?
The canonical SMILES for bis(tetramethylazanium);chloride;hydroxide is C[N+](C)(C)C.C[N+](C)(C)C.[Cl-].[OH-].
What is the InChIKey of bis(tetramethylazanium);chloride;hydroxide?
The InChIKey is SHCSTZVSTVNCAY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12N.ClH.H2O/c2*1-5(2,3)4;;/h2*1-4H3;1H;1H2/q2*+1;;/p-2.
What are the key properties of bis(tetramethylazanium);chloride;hydroxide?
bis(tetramethylazanium);chloride;hydroxide has a molecular weight of 200.75 g/mol, XLogP of -2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tetramethylazanium);chloride;hydroxide is sourced from PubChem (CID 57489840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).