disodium bis(2-phenylhydrazin-1-ylidene)butanedioate

• ChemBase ID: 109920
• Molecular Formular: C16H12N4Na2O4
• Molecular Mass: 370.27042
• Monoisotopic Mass: 370.06539345
• SMILES: [Na+].[Na+].[O-]C(=O)/C(=N\Nc1ccccc1)/C(=N/Nc1ccccc1)/C(=O)[O-]
• Canonical SMILES: [O-]C(=O)/C(=N\Nc1ccccc1)/C(=N/Nc1ccccc1)/C(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C16H14N4O4.2Na/c21-15(22)13(19-17-11-7-3-1-4-8-11)14(16(23)24)20-18-12-9-5-2-6-10-12;;/h1-10,17-18H,(H,21,22)(H,23,24);;/q;2*+1/p-2
• InChIKey: ZCZFDXRETZYEAC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium bis(2-phenylhydrazin-1-ylidene)butanedioate
• IUPAC Traditional name: dipotassium bis(2-phenylhydrazin-1-ylidene)butanedioate
• Synonyms: DIHYDROXY TARTARIC ACID PHENYL OSAZONE DISODIUM SALT

Database IDs

• PubChem SID: 162106319
• PubChem CID: 9584928

CALCULATED PROPERTIES

• Acid pKa: 2.6159437
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): 0.7010001
• LogD (pH = 7.4): -2.132619
• Log P: 4.544417
• Molar Refractivity: 110.2802 cm^3
• Polarizability: 31.868862 Å^3
• Polar Surface Area: 129.04 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213033

MP Biomedicals Rare Chemical collection