diazanium;tert-butyl phosphate

C4H17N2O4P — CID 121268914

IUPACdiazanium;tert-butyl phosphate
SMILESCC(C)(C)OP(=O)([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C4H11O4P.2H3N/c1-4(2,3)8-9(5,6)7;;/h1-3H3,(H2,5,6,7);2*1H3
InChIKeyLOOCVLCUQREXQQ-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.38
Rot. Bonds1

About diazanium;tert-butyl phosphate

diazanium;tert-butyl phosphate (PubChem CID 121268914) has the molecular formula C4H17N2O4P and a molecular weight of 188.16 g/mol. Its IUPAC name is diazanium;tert-butyl phosphate.

Molecular Properties

Compound Namediazanium;tert-butyl phosphate
PubChem CID121268914
Molecular FormulaC4H17N2O4P
Molecular Weight188.16 g/mol
Exact Mass188.09
IUPAC Namediazanium;tert-butyl phosphate
SMILESCC(C)(C)OP(=O)([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C4H11O4P.2H3N/c1-4(2,3)8-9(5,6)7;;/h1-3H3,(H2,5,6,7);2*1H3
InChIKeyLOOCVLCUQREXQQ-UHFFFAOYSA-N
XLogP0.38
TPSA145.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

silver ditert-butyl phosphate
CID 18428988
2-[fluoro(methyl)phosphoryl]oxy-2-methylpropane
CID 567264
2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
CID 87128310
disodium;2-methylhexan-2-yl phosphate
CID 172708640
CID 131873404
CID 131873404
tetrakis(tert-butylazanium);phosphonato phosphate
CID 139755539
azanium;sodium;phosphate
CID 22506365
2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate
CID 162060940
2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane
CID 57192868
2,6-dimethylheptan-2-yl phosphate
CID 58871450
[2-methylbut-3-en-2-yloxy(oxido)phosphoryl] phosphate
CID 71360023
ditert-butyl methylsulfonylmethyl phosphate
CID 156782919

Frequently Asked Questions

What is the IUPAC name of diazanium;tert-butyl phosphate?
The IUPAC name of diazanium;tert-butyl phosphate (CID 121268914) is diazanium;tert-butyl phosphate.
What is the SMILES notation for diazanium;tert-butyl phosphate?
The canonical SMILES for diazanium;tert-butyl phosphate is CC(C)(C)OP(=O)([O-])[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;tert-butyl phosphate?
The InChIKey is LOOCVLCUQREXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.2H3N/c1-4(2,3)8-9(5,6)7;;/h1-3H3,(H2,5,6,7);2*1H3.
What are the key properties of diazanium;tert-butyl phosphate?
diazanium;tert-butyl phosphate has a molecular weight of 188.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;tert-butyl phosphate is sourced from PubChem (CID 121268914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).