Sodium luminolateProduct ingredient for Luminol

Name
Sodium luminolate
Drug Entry
Luminol
Accession Number
DBSALT003468
Structure
Synonyms
3-AMINOPHTHALIC HYDRAZIDE SODIUM / 5-AMINO-2,3-DIHYDRO-1,4-PHTHALAZINEDIONE SODIUM SALT / GALAVIT / LUMINOL MONOSODIUM / Luminol sodium / O-AMINOPHTHALOYL HYDRAZIDE SODIUM / O-AMINOPHTHALYLHYDRAZIDE SODIUM
UNII
KFG2PZR7UX
CAS Number
20666-12-0
Weight
Average: 199.145
Monoisotopic: 199.03577073
Chemical Formula
C8H6N3NaO2
InChI Key
RVJVDCVIJCBUTH-UHFFFAOYSA-M
InChI
InChI=1S/C8H7N3O2.Na/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,(H4,9,10,11,12,13);/q;+1/p-1
IUPAC Name
sodium 5-amino-1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-ide
SMILES
[Na+].NC1=C2C(=O)N[N-]C(=O)C2=CC=C1
ChemSpider
21772469
Predicted Properties
PropertyValueSource
logP-0.064Chemaxon
pKa (Strongest Acidic)8.21Chemaxon
pKa (Strongest Basic)1.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area81.42 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity46.52 m3·mol-1Chemaxon
Polarizability15.87 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon