diaminophosphorylperoxybenzene

C6H9N2O3P — CID 172833248

IUPACdiaminophosphorylperoxybenzene
SMILESNP(N)(=O)OOc1ccccc1
InChIInChI=1S/C6H9N2O3P/c7-12(8,9)11-10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9)
InChIKeyVUJNLHBTWHOLAL-UHFFFAOYSA-N
MW188.12 g/mol
LogP1.02
Rot. Bonds3

About diaminophosphorylperoxybenzene

diaminophosphorylperoxybenzene (PubChem CID 172833248) has the molecular formula C6H9N2O3P and a molecular weight of 188.12 g/mol. Its IUPAC name is diaminophosphorylperoxybenzene.

Molecular Properties

Compound Namediaminophosphorylperoxybenzene
PubChem CID172833248
Molecular FormulaC6H9N2O3P
Molecular Weight188.12 g/mol
Exact Mass188.04
IUPAC Namediaminophosphorylperoxybenzene
SMILESNP(N)(=O)OOc1ccccc1
InChIInChI=1S/C6H9N2O3P/c7-12(8,9)11-10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9)
InChIKeyVUJNLHBTWHOLAL-UHFFFAOYSA-N
XLogP1.02
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phenoxy phenyl hydrogen phosphate
CID 172853202
[amino(methyl)phosphoryl]oxybenzene
CID 11864135
azane;phenylperoxybenzene
CID 174490395
O-phenoxyhydroxylamine
CID 20645120
2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate
CID 161397603
potassium;hydride;phenylperoxybenzene
CID 174274599
1-N,3-N-bis[bis(phenylperoxy)phosphorylmethyl]benzene-1,3-diamine
CID 88525546
phenylperoxymethanamine
CID 163956445
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
3-bis(phenylperoxy)phosphorylthiolane 1,1-dioxide
CID 175695056
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109

Frequently Asked Questions

What is the IUPAC name of diaminophosphorylperoxybenzene?
The IUPAC name of diaminophosphorylperoxybenzene (CID 172833248) is diaminophosphorylperoxybenzene.
What is the SMILES notation for diaminophosphorylperoxybenzene?
The canonical SMILES for diaminophosphorylperoxybenzene is NP(N)(=O)OOc1ccccc1.
What is the InChIKey of diaminophosphorylperoxybenzene?
The InChIKey is VUJNLHBTWHOLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O3P/c7-12(8,9)11-10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9).
What are the key properties of diaminophosphorylperoxybenzene?
diaminophosphorylperoxybenzene has a molecular weight of 188.12 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diaminophosphorylperoxybenzene is sourced from PubChem (CID 172833248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).