3,4-diaminonaphthalene-1,7-disulfonic acid

C10H10N2O6S2 — CID 174341204

IUPAC3,4-diaminonaphthalene-1,7-disulfonic acid
SMILESNc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc2c1N
InChIInChI=1S/C10H10N2O6S2/c11-8-4-9(20(16,17)18)7-3-5(19(13,14)15)1-2-6(7)10(8)12/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)
InChIKeyZEAXBKZJPSWVAZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.50
Rot. Bonds2

About 3,4-diaminonaphthalene-1,7-disulfonic acid

3,4-diaminonaphthalene-1,7-disulfonic acid (PubChem CID 174341204) has the molecular formula C10H10N2O6S2 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3,4-diaminonaphthalene-1,7-disulfonic acid.

Molecular Properties

Compound Name3,4-diaminonaphthalene-1,7-disulfonic acid
PubChem CID174341204
Molecular FormulaC10H10N2O6S2
Molecular Weight318.33 g/mol
Exact Mass318.00
IUPAC Name3,4-diaminonaphthalene-1,7-disulfonic acid
SMILESNc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc2c1N
InChIInChI=1S/C10H10N2O6S2/c11-8-4-9(20(16,17)18)7-3-5(19(13,14)15)1-2-6(7)10(8)12/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)
InChIKeyZEAXBKZJPSWVAZ-UHFFFAOYSA-N
XLogP0.50
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid
CID 143119563
2-aminobenzene-1,4-disulfonic acid;7-aminonaphthalene-1,3,5-trisulfonic acid
CID 88708500
4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177
4-amino-3-bromobenzenesulfonic acid
CID 18398323
2-aminobenzene-1,4-disulfonic acid;4-aminobenzene-1,3-disulfonic acid
CID 88725351
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134
4-[[4-[(4-amino-3-methoxy-7-sulfonaphthalen-1-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 137493023
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
2-amino-3-hydroxynaphthalene-1,7-disulfonic acid
CID 57310744
1-hydroxy-4,7-disulfonaphthalene-2-carboxylic acid
CID 5250962
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916
3-amino-4-[[4-[4-[(2-amino-6-sulfonaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 10328109

Frequently Asked Questions

What is the IUPAC name of 3,4-diaminonaphthalene-1,7-disulfonic acid?
The IUPAC name of 3,4-diaminonaphthalene-1,7-disulfonic acid (CID 174341204) is 3,4-diaminonaphthalene-1,7-disulfonic acid.
What is the SMILES notation for 3,4-diaminonaphthalene-1,7-disulfonic acid?
The canonical SMILES for 3,4-diaminonaphthalene-1,7-disulfonic acid is Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc2c1N.
What is the InChIKey of 3,4-diaminonaphthalene-1,7-disulfonic acid?
The InChIKey is ZEAXBKZJPSWVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6S2/c11-8-4-9(20(16,17)18)7-3-5(19(13,14)15)1-2-6(7)10(8)12/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18).
What are the key properties of 3,4-diaminonaphthalene-1,7-disulfonic acid?
3,4-diaminonaphthalene-1,7-disulfonic acid has a molecular weight of 318.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminonaphthalene-1,7-disulfonic acid is sourced from PubChem (CID 174341204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).