tetrakis(dimethylazanium);chloride;phosphate

C8H32ClN4O4P — CID 140985033

IUPACtetrakis(dimethylazanium);chloride;phosphate
SMILESC[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O=P([O-])([O-])[O-].[Cl-]
InChIInChI=1S/4C2H7N.ClH.H3O4P/c4*1-3-2;;1-5(2,3)4/h4*3H,1-2H3;1H;(H3,1,2,3,4)
InChIKeyMQZZOTWAILFBFT-UHFFFAOYSA-N
MW314.80 g/mol
LogP-10.58
Rot. Bonds

About tetrakis(dimethylazanium);chloride;phosphate

tetrakis(dimethylazanium);chloride;phosphate (PubChem CID 140985033) has the molecular formula C8H32ClN4O4P and a molecular weight of 314.80 g/mol. Its IUPAC name is tetrakis(dimethylazanium);chloride;phosphate.

Molecular Properties

Compound Nametetrakis(dimethylazanium);chloride;phosphate
PubChem CID140985033
Molecular FormulaC8H32ClN4O4P
Molecular Weight314.80 g/mol
Exact Mass314.18
IUPAC Nametetrakis(dimethylazanium);chloride;phosphate
SMILESC[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O=P([O-])([O-])[O-].[Cl-]
InChIInChI=1S/4C2H7N.ClH.H3O4P/c4*1-3-2;;1-5(2,3)4/h4*3H,1-2H3;1H;(H3,1,2,3,4)
InChIKeyMQZZOTWAILFBFT-UHFFFAOYSA-N
XLogP-10.58
TPSA152.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 5-10.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173131360
zinc;niobium(5+);phosphate
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bis(palladium(2+));chloride;phosphate
CID 173092002
iron(4+);chloride;phosphate
CID 174456268
dimethylazanium;phosphoric acid;dichloride
CID 18949395
magnesium;disodium;chloride;phosphate
CID 21257942
molybdenum diphosphate
CID 22395595
tris(thorium(4+));tetraphosphate
CID 21475626
octadecaazanium;hexaphosphate
CID 158249396
CID 23618823
CID 23618823
methane phosphate
CID 22352647
dipotassium diphosphate
CID 18612384

Frequently Asked Questions

What is the IUPAC name of tetrakis(dimethylazanium);chloride;phosphate?
The IUPAC name of tetrakis(dimethylazanium);chloride;phosphate (CID 140985033) is tetrakis(dimethylazanium);chloride;phosphate.
What is the SMILES notation for tetrakis(dimethylazanium);chloride;phosphate?
The canonical SMILES for tetrakis(dimethylazanium);chloride;phosphate is C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O=P([O-])([O-])[O-].[Cl-].
What is the InChIKey of tetrakis(dimethylazanium);chloride;phosphate?
The InChIKey is MQZZOTWAILFBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H7N.ClH.H3O4P/c4*1-3-2;;1-5(2,3)4/h4*3H,1-2H3;1H;(H3,1,2,3,4).
What are the key properties of tetrakis(dimethylazanium);chloride;phosphate?
tetrakis(dimethylazanium);chloride;phosphate has a molecular weight of 314.80 g/mol, XLogP of -10.58, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dimethylazanium);chloride;phosphate is sourced from PubChem (CID 140985033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).