bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid

C8H26N2O8S2 — CID 174527843

IUPACbis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid
SMILESCN(C)C.CN(C)C.COS(=O)(=O)OC.O=S(=O)(O)O
InChIInChI=1S/2C3H9N.C2H6O4S.H2O4S/c2*1-4(2)3;1-5-7(3,4)6-2;1-5(2,3)4/h2*1-3H3;1-2H3;(H2,1,2,3,4)
InChIKeyQEEFZIGFDZBNJH-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.77
Rot. Bonds2

About bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid

bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid (PubChem CID 174527843) has the molecular formula C8H26N2O8S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid.

Molecular Properties

Compound Namebis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid
PubChem CID174527843
Molecular FormulaC8H26N2O8S2
Molecular Weight342.44 g/mol
Exact Mass342.11
IUPAC Namebis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid
SMILESCN(C)C.CN(C)C.COS(=O)(=O)OC.O=S(=O)(O)O
InChIInChI=1S/2C3H9N.C2H6O4S.H2O4S/c2*1-4(2)3;1-5-7(3,4)6-2;1-5(2,3)4/h2*1-3H3;1-2H3;(H2,1,2,3,4)
InChIKeyQEEFZIGFDZBNJH-UHFFFAOYSA-N
XLogP-0.77
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 86609602
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dipotassium;dimethyl sulfate;carbonate
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CID 159747638
azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate
CID 174777651
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bis(dimethylamino)methyl methyl sulfate
CID 15031881

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid?
The IUPAC name of bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid (CID 174527843) is bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid.
What is the SMILES notation for bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid?
The canonical SMILES for bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid is CN(C)C.CN(C)C.COS(=O)(=O)OC.O=S(=O)(O)O.
What is the InChIKey of bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid?
The InChIKey is QEEFZIGFDZBNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.C2H6O4S.H2O4S/c2*1-4(2)3;1-5-7(3,4)6-2;1-5(2,3)4/h2*1-3H3;1-2H3;(H2,1,2,3,4).
What are the key properties of bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid?
bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid has a molecular weight of 342.44 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid is sourced from PubChem (CID 174527843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).