methylazanium;methyl phosphate

C3H15N2O4P — CID 141397686

IUPACmethylazanium;methyl phosphate
SMILESCOP(=O)([O-])[O-].C[NH3+].C[NH3+]
InChIInChI=1S/2CH5N.CH5O4P/c2*1-2;1-5-6(2,3)4/h2*2H2,1H3;1H3,(H2,2,3,4)
InChIKeyMIHYGOMLWYWJAS-UHFFFAOYSA-N
MW174.14 g/mol
LogP-3.82
Rot. Bonds1

About methylazanium;methyl phosphate

methylazanium;methyl phosphate (PubChem CID 141397686) has the molecular formula C3H15N2O4P and a molecular weight of 174.14 g/mol. Its IUPAC name is methylazanium;methyl phosphate.

Molecular Properties

Compound Namemethylazanium;methyl phosphate
PubChem CID141397686
Molecular FormulaC3H15N2O4P
Molecular Weight174.14 g/mol
Exact Mass174.08
IUPAC Namemethylazanium;methyl phosphate
SMILESCOP(=O)([O-])[O-].C[NH3+].C[NH3+]
InChIInChI=1S/2CH5N.CH5O4P/c2*1-2;1-5-6(2,3)4/h2*2H2,1H3;1H3,(H2,2,3,4)
InChIKeyMIHYGOMLWYWJAS-UHFFFAOYSA-N
XLogP-3.82
TPSA127.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 5-3.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylazanium;methyl phosphate?
The IUPAC name of methylazanium;methyl phosphate (CID 141397686) is methylazanium;methyl phosphate.
What is the SMILES notation for methylazanium;methyl phosphate?
The canonical SMILES for methylazanium;methyl phosphate is COP(=O)([O-])[O-].C[NH3+].C[NH3+].
What is the InChIKey of methylazanium;methyl phosphate?
The InChIKey is MIHYGOMLWYWJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH5N.CH5O4P/c2*1-2;1-5-6(2,3)4/h2*2H2,1H3;1H3,(H2,2,3,4).
What are the key properties of methylazanium;methyl phosphate?
methylazanium;methyl phosphate has a molecular weight of 174.14 g/mol, XLogP of -3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium;methyl phosphate is sourced from PubChem (CID 141397686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).