dimethylazanium;phosphoric acid;dichloride

C2H11Cl2NO4P- — CID 18949395

IUPACdimethylazanium;phosphoric acid;dichloride
SMILESC[NH2+]C.O=P(O)(O)O.[Cl-].[Cl-]
InChIInChI=1S/C2H7N.2ClH.H3O4P/c1-3-2;;;1-5(2,3)4/h3H,1-2H3;2*1H;(H3,1,2,3,4)/p-1
InChIKeyKXFFBJFOZIHRQL-UHFFFAOYSA-M
MW214.99 g/mol
LogP-8.11
Rot. Bonds

About dimethylazanium;phosphoric acid;dichloride

dimethylazanium;phosphoric acid;dichloride (PubChem CID 18949395) has the molecular formula C2H11Cl2NO4P- and a molecular weight of 214.99 g/mol. Its IUPAC name is dimethylazanium;phosphoric acid;dichloride.

Molecular Properties

Compound Namedimethylazanium;phosphoric acid;dichloride
PubChem CID18949395
Molecular FormulaC2H11Cl2NO4P-
Molecular Weight214.99 g/mol
Exact Mass213.98
IUPAC Namedimethylazanium;phosphoric acid;dichloride
SMILESC[NH2+]C.O=P(O)(O)O.[Cl-].[Cl-]
InChIInChI=1S/C2H7N.2ClH.H3O4P/c1-3-2;;;1-5(2,3)4/h3H,1-2H3;2*1H;(H3,1,2,3,4)/p-1
InChIKeyKXFFBJFOZIHRQL-UHFFFAOYSA-M
XLogP-8.11
TPSA94.37 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 5-8.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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;phosphoric acid;dichloride?
The IUPAC name of dimethylazanium;phosphoric acid;dichloride (CID 18949395) is dimethylazanium;phosphoric acid;dichloride.
What is the SMILES notation for dimethylazanium;phosphoric acid;dichloride?
The canonical SMILES for dimethylazanium;phosphoric acid;dichloride is C[NH2+]C.O=P(O)(O)O.[Cl-].[Cl-].
What is the InChIKey of dimethylazanium;phosphoric acid;dichloride?
The InChIKey is KXFFBJFOZIHRQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7N.2ClH.H3O4P/c1-3-2;;;1-5(2,3)4/h3H,1-2H3;2*1H;(H3,1,2,3,4)/p-1.
What are the key properties of dimethylazanium;phosphoric acid;dichloride?
dimethylazanium;phosphoric acid;dichloride has a molecular weight of 214.99 g/mol, XLogP of -8.11, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;phosphoric acid;dichloride is sourced from PubChem (CID 18949395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).