hydrogen phosphate;bis(tetramethylazanium)

C8H25N2O4P — CID 14746851

IUPAChydrogen phosphate;bis(tetramethylazanium)
SMILESC[N+](C)(C)C.C[N+](C)(C)C.O=P([O-])([O-])O
InChIInChI=1S/2C4H12N.H3O4P/c3*1-5(2,3)4/h2*1-4H3;(H3,1,2,3,4)/q2*+1;/p-2
InChIKeyNRWCULBPDGBRQD-UHFFFAOYSA-L
MW244.27 g/mol
LogP-1.55
Rot. Bonds

About hydrogen phosphate;bis(tetramethylazanium)

hydrogen phosphate;bis(tetramethylazanium) (PubChem CID 14746851) has the molecular formula C8H25N2O4P and a molecular weight of 244.27 g/mol. Its IUPAC name is hydrogen phosphate;bis(tetramethylazanium).

Molecular Properties

Compound Namehydrogen phosphate;bis(tetramethylazanium)
PubChem CID14746851
Molecular FormulaC8H25N2O4P
Molecular Weight244.27 g/mol
Exact Mass244.16
IUPAC Namehydrogen phosphate;bis(tetramethylazanium)
SMILESC[N+](C)(C)C.C[N+](C)(C)C.O=P([O-])([O-])O
InChIInChI=1S/2C4H12N.H3O4P/c3*1-5(2,3)4/h2*1-4H3;(H3,1,2,3,4)/q2*+1;/p-2
InChIKeyNRWCULBPDGBRQD-UHFFFAOYSA-L
XLogP-1.55
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hydrogen phosphate;bis(tetramethylazanium)?
The IUPAC name of hydrogen phosphate;bis(tetramethylazanium) (CID 14746851) is hydrogen phosphate;bis(tetramethylazanium).
What is the SMILES notation for hydrogen phosphate;bis(tetramethylazanium)?
The canonical SMILES for hydrogen phosphate;bis(tetramethylazanium) is C[N+](C)(C)C.C[N+](C)(C)C.O=P([O-])([O-])O.
What is the InChIKey of hydrogen phosphate;bis(tetramethylazanium)?
The InChIKey is NRWCULBPDGBRQD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12N.H3O4P/c3*1-5(2,3)4/h2*1-4H3;(H3,1,2,3,4)/q2*+1;/p-2.
What are the key properties of hydrogen phosphate;bis(tetramethylazanium)?
hydrogen phosphate;bis(tetramethylazanium) has a molecular weight of 244.27 g/mol, XLogP of -1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen phosphate;bis(tetramethylazanium) is sourced from PubChem (CID 14746851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).