dimethylazanium;methyl hydrogen phosphate

C3H12NO4P — CID 141397687

IUPACdimethylazanium;methyl hydrogen phosphate
SMILESCOP(=O)([O-])O.C[NH2+]C
InChIInChI=1S/C2H7N.CH5O4P/c1-3-2;1-5-6(2,3)4/h3H,1-2H3;1H3,(H2,2,3,4)
InChIKeyRPNZFFFHXDKFAC-UHFFFAOYSA-N
MW157.11 g/mol
LogP-2.10
Rot. Bonds1

About dimethylazanium;methyl hydrogen phosphate

dimethylazanium;methyl hydrogen phosphate (PubChem CID 141397687) has the molecular formula C3H12NO4P and a molecular weight of 157.11 g/mol. Its IUPAC name is dimethylazanium;methyl hydrogen phosphate.

Molecular Properties

Compound Namedimethylazanium;methyl hydrogen phosphate
PubChem CID141397687
Molecular FormulaC3H12NO4P
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Namedimethylazanium;methyl hydrogen phosphate
SMILESCOP(=O)([O-])O.C[NH2+]C
InChIInChI=1S/C2H7N.CH5O4P/c1-3-2;1-5-6(2,3)4/h3H,1-2H3;1H3,(H2,2,3,4)
InChIKeyRPNZFFFHXDKFAC-UHFFFAOYSA-N
XLogP-2.10
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylazanium;methyl hydrogen phosphate?
The IUPAC name of dimethylazanium;methyl hydrogen phosphate (CID 141397687) is dimethylazanium;methyl hydrogen phosphate.
What is the SMILES notation for dimethylazanium;methyl hydrogen phosphate?
The canonical SMILES for dimethylazanium;methyl hydrogen phosphate is COP(=O)([O-])O.C[NH2+]C.
What is the InChIKey of dimethylazanium;methyl hydrogen phosphate?
The InChIKey is RPNZFFFHXDKFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CH5O4P/c1-3-2;1-5-6(2,3)4/h3H,1-2H3;1H3,(H2,2,3,4).
What are the key properties of dimethylazanium;methyl hydrogen phosphate?
dimethylazanium;methyl hydrogen phosphate has a molecular weight of 157.11 g/mol, XLogP of -2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;methyl hydrogen phosphate is sourced from PubChem (CID 141397687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).