bis(tetramethylazanium);chloride;hydroxide;hydrate

C8H27ClN2O2 — CID 139931920

IUPACbis(tetramethylazanium);chloride;hydroxide;hydrate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.O.[Cl-].[OH-]
InChIInChI=1S/2C4H12N.ClH.2H2O/c2*1-5(2,3)4;;;/h2*1-4H3;1H;2*1H2/q2*+1;;;/p-2
InChIKeyGUAOREPWANUHMA-UHFFFAOYSA-L
MW218.77 g/mol
LogP-3.35
Rot. Bonds

About bis(tetramethylazanium);chloride;hydroxide;hydrate

bis(tetramethylazanium);chloride;hydroxide;hydrate (PubChem CID 139931920) has the molecular formula C8H27ClN2O2 and a molecular weight of 218.77 g/mol. Its IUPAC name is bis(tetramethylazanium);chloride;hydroxide;hydrate.

Molecular Properties

Compound Namebis(tetramethylazanium);chloride;hydroxide;hydrate
PubChem CID139931920
Molecular FormulaC8H27ClN2O2
Molecular Weight218.77 g/mol
Exact Mass218.18
IUPAC Namebis(tetramethylazanium);chloride;hydroxide;hydrate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.O.[Cl-].[OH-]
InChIInChI=1S/2C4H12N.ClH.2H2O/c2*1-5(2,3)4;;;/h2*1-4H3;1H;2*1H2/q2*+1;;;/p-2
InChIKeyGUAOREPWANUHMA-UHFFFAOYSA-L
XLogP-3.35
TPSA61.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 5-3.35
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;hydrate?
The IUPAC name of bis(tetramethylazanium);chloride;hydroxide;hydrate (CID 139931920) is bis(tetramethylazanium);chloride;hydroxide;hydrate.
What is the SMILES notation for bis(tetramethylazanium);chloride;hydroxide;hydrate?
The canonical SMILES for bis(tetramethylazanium);chloride;hydroxide;hydrate is C[N+](C)(C)C.C[N+](C)(C)C.O.[Cl-].[OH-].
What is the InChIKey of bis(tetramethylazanium);chloride;hydroxide;hydrate?
The InChIKey is GUAOREPWANUHMA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12N.ClH.2H2O/c2*1-5(2,3)4;;;/h2*1-4H3;1H;2*1H2/q2*+1;;;/p-2.
What are the key properties of bis(tetramethylazanium);chloride;hydroxide;hydrate?
bis(tetramethylazanium);chloride;hydroxide;hydrate has a molecular weight of 218.77 g/mol, XLogP of -3.35, 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;hydrate is sourced from PubChem (CID 139931920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).