2,3-dihydroxy-N,N'-bis(prop-2-en-1-yl)butanediimidic acid

• ChemBase ID: 106685
• Molecular Formular: C10H16N2O4
• Molecular Mass: 228.24504
• Monoisotopic Mass: 228.111007
• SMILES: OC(C(O)/C(=N/CC=C)/O)/C(=N/CC=C)/O
• Canonical SMILES: C=CC/N=C(/C(C(/C(=N/CC=C)/O)O)O)\O
• InChI: InChI=1S/C10H16N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h3-4,7-8,13-14H,1-2,5-6H2,(H,11,15)(H,12,16)
• InChIKey: ZRKLEAHGBNDKHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydroxy-N,N'-bis(prop-2-en-1-yl)butanediimidic acid
• IUPAC Traditional name: 2,3-dihydroxy-N,N'-bis(prop-2-en-1-yl)butanediimidic acid
• Synonyms: N,N'-DIALLYLTARTARDIAMIDE

Database IDs

• CAS Number: 28843-34-7
• PubChem SID: 162090104
• PubChem CID: 98486

CALCULATED PROPERTIES

• Acid pKa: 3.473469
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -1.0134658
• LogD (pH = 7.4): -4.2967615
• Log P: -0.35181385
• Molar Refractivity: 59.02 cm^3
• Polarizability: 22.321064 Å^3
• Polar Surface Area: 105.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 04808272

(DATD)Allylic cross-linker with 1,2-diol structure which can be oxidized by periodic acid. Excellent cross-linker for isoelectric focusing and isotachophoresis techniques due to good mechanical stability and large pore size in gels.

MP Biomedicals - 04808271

(DATD)Allylic cross-linker with 1,2-diol structure which can be oxidized by periodic acid. Excellent cross-linker for isoelectric focusing and isotachophoresis techniques due to good mechanical stability and large pore size in gels.