disodium oxido[3-(oxidoimino)butan-2-ylidene]amine

• ChemBase ID: 111114
• Molecular Formular: C4H6N2Na2O2
• Molecular Mass: 160.08218
• Monoisotopic Mass: 160.022466
• SMILES: [Na+].[Na+].C/C(=N\[O-])/C(=N/[O-])/C
• Canonical SMILES: [O-]/N=C(/C(=N/[O-])/C)\C.[Na+].[Na+]
• InChI: InChI=1S/C4H8N2O2.2Na/c1-3(5-7)4(2)6-8;;/h7-8H,1-2H3;;/q;2*+1/p-2
• InChIKey: QLTLFMCLBXKKCR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium oxido[3-(oxidoimino)butan-2-ylidene]amine
• IUPAC Traditional name: dipotassium oxido[3-(oxidoimino)butan-2-ylidene]amine
• Synonyms: DIMETHYLGLYOXIME SODIUM SALT

Database IDs

• CAS Number: 60908-54-5
• EC Number: 262-523-2
• PubChem SID: 162096560
• PubChem CID: 9576418

CALCULATED PROPERTIES

• Acid pKa: 7.886533
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4126258
• LogD (pH = 7.4): 0.29240566
• Log P: 0.41445905
• Molar Refractivity: 26.9408 cm^3
• Polarizability: 10.303641 Å^3
• Polar Surface Area: 70.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217812

MP Biomedicals Rare Chemical collection