azane;phosphoric acid;dihydrochloride

H11Cl2N2O4P — CID 173049818

IUPACazane;phosphoric acid;dihydrochloride
SMILESCl.Cl.N.N.O=P(O)(O)O
InChIInChI=1S/2ClH.2H3N.H3O4P/c;;;;1-5(2,3)4/h2*1H;2*1H3;(H3,1,2,3,4)
InChIKeyPZPURENLLDLCRN-UHFFFAOYSA-N
MW204.98 g/mol
LogP0.24
Rot. Bonds

About azane;phosphoric acid;dihydrochloride

azane;phosphoric acid;dihydrochloride (PubChem CID 173049818) has the molecular formula H11Cl2N2O4P and a molecular weight of 204.98 g/mol. Its IUPAC name is azane;phosphoric acid;dihydrochloride.

Molecular Properties

Compound Nameazane;phosphoric acid;dihydrochloride
PubChem CID173049818
Molecular FormulaH11Cl2N2O4P
Molecular Weight204.98 g/mol
Exact Mass203.98
IUPAC Nameazane;phosphoric acid;dihydrochloride
SMILESCl.Cl.N.N.O=P(O)(O)O
InChIInChI=1S/2ClH.2H3N.H3O4P/c;;;;1-5(2,3)4/h2*1H;2*1H3;(H3,1,2,3,4)
InChIKeyPZPURENLLDLCRN-UHFFFAOYSA-N
XLogP0.24
TPSA147.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.98
LogP ≤ 50.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;phosphoric acid;dihydrochloride?
The IUPAC name of azane;phosphoric acid;dihydrochloride (CID 173049818) is azane;phosphoric acid;dihydrochloride.
What is the SMILES notation for azane;phosphoric acid;dihydrochloride?
The canonical SMILES for azane;phosphoric acid;dihydrochloride is Cl.Cl.N.N.O=P(O)(O)O.
What is the InChIKey of azane;phosphoric acid;dihydrochloride?
The InChIKey is PZPURENLLDLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.2H3N.H3O4P/c;;;;1-5(2,3)4/h2*1H;2*1H3;(H3,1,2,3,4).
What are the key properties of azane;phosphoric acid;dihydrochloride?
azane;phosphoric acid;dihydrochloride has a molecular weight of 204.98 g/mol, XLogP of 0.24, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphoric acid;dihydrochloride is sourced from PubChem (CID 173049818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).