4-hydroperoxybenzene-1,3-diamine;sulfuric acid

C6H10N2O6S — CID 174943515

IUPAC4-hydroperoxybenzene-1,3-diamine;sulfuric acid
SMILESNc1ccc(OO)c(N)c1.O=S(=O)(O)O
InChIInChI=1S/C6H8N2O2.H2O4S/c7-4-1-2-6(10-9)5(8)3-4;1-5(2,3)4/h1-3,9H,7-8H2;(H2,1,2,3,4)
InChIKeyDQIMIOQBYNRBCS-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.05
Rot. Bonds1

About 4-hydroperoxybenzene-1,3-diamine;sulfuric acid

4-hydroperoxybenzene-1,3-diamine;sulfuric acid (PubChem CID 174943515) has the molecular formula C6H10N2O6S and a molecular weight of 238.22 g/mol. Its IUPAC name is 4-hydroperoxybenzene-1,3-diamine;sulfuric acid.

Molecular Properties

Compound Name4-hydroperoxybenzene-1,3-diamine;sulfuric acid
PubChem CID174943515
Molecular FormulaC6H10N2O6S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC Name4-hydroperoxybenzene-1,3-diamine;sulfuric acid
SMILESNc1ccc(OO)c(N)c1.O=S(=O)(O)O
InChIInChI=1S/C6H8N2O2.H2O4S/c7-4-1-2-6(10-9)5(8)3-4;1-5(2,3)4/h1-3,9H,7-8H2;(H2,1,2,3,4)
InChIKeyDQIMIOQBYNRBCS-UHFFFAOYSA-N
XLogP0.05
TPSA156.10 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-diaminophenoxy)ethanesulfonic acid
CID 88685601
4-(2,4-diaminophenoxy)butane-1-sulfonic acid;2-(2,5-diaminophenoxy)ethanesulfonic acid
CID 158743620
4-(2,4-diaminophenoxy)phenol
CID 19971372
4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
CID 15801088
2-(2,5-diaminophenyl)acetaldehyde;sulfuric acid
CID 87689925
1-(2,4-diaminophenoxy)ethenol
CID 122504845
(2,4-diaminophenyl) propanoate
CID 89154714
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
CID 159131226
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
bis(1-(2,4-diaminophenoxy)ethanol);trihydrochloride
CID 68566061
2-[(2,4-diaminophenoxy)methyl]benzene-1,4-diamine
CID 57055937
6-(4-CHLOROPHENOXY)-METANILIC ACID, SODIUM SALT
CID 126960061

Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxybenzene-1,3-diamine;sulfuric acid?
The IUPAC name of 4-hydroperoxybenzene-1,3-diamine;sulfuric acid (CID 174943515) is 4-hydroperoxybenzene-1,3-diamine;sulfuric acid.
What is the SMILES notation for 4-hydroperoxybenzene-1,3-diamine;sulfuric acid?
The canonical SMILES for 4-hydroperoxybenzene-1,3-diamine;sulfuric acid is Nc1ccc(OO)c(N)c1.O=S(=O)(O)O.
What is the InChIKey of 4-hydroperoxybenzene-1,3-diamine;sulfuric acid?
The InChIKey is DQIMIOQBYNRBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.H2O4S/c7-4-1-2-6(10-9)5(8)3-4;1-5(2,3)4/h1-3,9H,7-8H2;(H2,1,2,3,4).
What are the key properties of 4-hydroperoxybenzene-1,3-diamine;sulfuric acid?
4-hydroperoxybenzene-1,3-diamine;sulfuric acid has a molecular weight of 238.22 g/mol, XLogP of 0.05, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxybenzene-1,3-diamine;sulfuric acid is sourced from PubChem (CID 174943515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).